4-isocyano-9-[4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]phenyl]-15-quinolin-8-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-isocyano-9-[4-[5-(10-naphthalen-1-ylanthracen-9-yl)-2-pyridinyl]phenyl]-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-isocyano-15-naphthalen-1-yl-9-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-isocyano-15-naphthalen-2-yl-9-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-isocyano-9-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-15-pyridin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-isocyano-15-phenyl-9-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene

C327H191N15 — CID 159500188

IUPAC4-isocyano-9-[4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]phenyl]-15-quinolin-8-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-isocyano-9-[4-[5-(10-naphthalen-1-ylanthracen-9-yl)-2-pyridinyl]phenyl]-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-isocyano-15-naphthalen-1-yl-9-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-isocyano-15-naphthalen-2-yl-9-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-isocyano-9-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-15-pyridin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-isocyano-15-phenyl-9-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene
SMILES[C-]#[N+]c1ccc2c3c1ccc1c(-c4c5ccccc5c(-c5ccc(-c6ccccc6)c6ccccc56)c5ccccc45)ccc(c13)n2-c1ccc2ccccc2c1.[C-]#[N+]c1ccc2c3c1ccc1c(-c4c5ccccc5c(-c5ccc(-c6ccccc6)c6ccccc56)c5ccccc45)ccc(c13)n2-c1cccc2ccccc12.[C-]#[N+]c1ccc2c3c1ccc1c(-c4c5ccccc5c(-c5ccc(-c6ccccc6)c6ccccc56)c5ccccc45)ccc(c13)n2-c1ccccc1.[C-]#[N+]c1ccc2c3c1ccc1c(-c4c5ccccc5c(-c5ccc(-c6ccccc6)c6ccccc56)c5ccccc45)ccc(c13)n2-c1cccnc1.[C-]#[N+]c1ccc2c3c1ccc1c(-c4ccc(-c5ccc(-c6c7ccccc7c(-c7cccc8ccccc78)c7ccccc67)cc5)cc4)ccc(c13)n2-c1cccc2cccnc12.[C-]#[N+]c1ccc2c3c1ccc1c(-c4ccc(-c5ccc(-c6c7ccccc7c(-c7cccc8ccccc78)c7ccccc67)cn5)cc4)ccc(c13)n2-c1ccccc1
InChIInChI=1S/C60H35N3.C56H33N3.2C55H32N2.C51H30N2.C50H29N3/c1-61-52-33-35-54-59-51(52)31-30-50-44(32-34-53(58(50)59)63(54)55-21-9-13-42-14-10-36-62-60(42)55)40-26-22-37(23-27-40)38-24-28-41(29-25-38)56-46-16-4-6-18-48(46)57(49-19-7-5-17-47(49)56)45-20-8-12-39-11-2-3-15-43(39)45;1-57-50-31-33-52-56-48(50)28-27-47-41(29-32-51(55(47)56)59(52)39-14-3-2-4-15-39)36-22-24-37(25-23-36)49-30-26-38(34-58-49)53-43-17-7-9-19-45(43)54(46-20-10-8-18-44(46)53)42-21-11-13-35-12-5-6-16-40(35)42;1-56-48-31-33-51-55-47(48)29-28-46-45(30-32-50(54(46)55)57(51)49-25-13-17-35-16-5-6-18-37(35)49)53-42-23-11-9-21-40(42)52(41-22-10-12-24-43(41)53)44-27-26-36(34-14-3-2-4-15-34)38-19-7-8-20-39(38)44;1-56-49-30-32-51-55-48(49)28-27-47-46(29-31-50(54(47)55)57(51)37-24-23-34-13-5-6-16-36(34)33-37)53-43-21-11-9-19-41(43)52(42-20-10-12-22-44(42)53)45-26-25-38(35-14-3-2-4-15-35)39-17-7-8-18-40(39)45;1-52-45-29-31-47-51-44(45)27-26-43-42(28-30-46(50(43)51)53(47)33-16-6-3-7-17-33)49-39-22-12-10-20-37(39)48(38-21-11-13-23-40(38)49)41-25-24-34(32-14-4-2-5-15-32)35-18-8-9-19-36(35)41;1-51-44-26-28-46-50-43(44)24-23-42-41(25-27-45(49(42)50)53(46)32-14-11-29-52-30-32)48-38-19-9-7-17-36(38)47(37-18-8-10-20-39(37)48)40-22-21-33(31-12-3-2-4-13-31)34-15-5-6-16-35(34)40/h2-36H;2-34H;2*2-33H;2-31H;2-30H
InChIKeyLZHBLSNNZQAODR-UHFFFAOYSA-N
MW4330.23 g/mol
LogP91.30
Rot. Bonds26

About 4-isocyano-9-[4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]phenyl]-15-quinolin-8-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-isocyano-9-[4-[5-(10-naphthalen-1-ylanthracen-9-yl)-2-pyridinyl]phenyl]-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-isocyano-15-naphthalen-1-yl-9-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-isocyano-15-naphthalen-2-yl-9-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-isocyano-9-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-15-pyridin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-isocyano-15-phenyl-9-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene

4-isocyano-9-[4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]phenyl]-15-quinolin-8-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-isocyano-9-[4-[5-(10-naphthalen-1-ylanthracen-9-yl)-2-pyridinyl]phenyl]-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-isocyano-15-naphthalen-1-yl-9-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-isocyano-15-naphthalen-2-yl-9-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-isocyano-9-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-15-pyridin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-isocyano-15-phenyl-9-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene (PubChem CID 159500188) has the molecular formula C327H191N15 and a molecular weight of 4330.23 g/mol. Its IUPAC name is 4-isocyano-9-[4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]phenyl]-15-quinolin-8-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-isocyano-9-[4-[5-(10-naphthalen-1-ylanthracen-9-yl)-2-pyridinyl]phenyl]-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-isocyano-15-naphthalen-1-yl-9-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-isocyano-15-naphthalen-2-yl-9-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-isocyano-9-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-15-pyridin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-isocyano-15-phenyl-9-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene.

Molecular Properties

Compound Name4-isocyano-9-[4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]phenyl]-15-quinolin-8-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-isocyano-9-[4-[5-(10-naphthalen-1-ylanthracen-9-yl)-2-pyridinyl]phenyl]-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-isocyano-15-naphthalen-1-yl-9-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-isocyano-15-naphthalen-2-yl-9-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-isocyano-9-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-15-pyridin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-isocyano-15-phenyl-9-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene
PubChem CID159500188
Molecular FormulaC327H191N15
Molecular Weight4330.23 g/mol
Exact Mass4326.54
IUPAC Name4-isocyano-9-[4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]phenyl]-15-quinolin-8-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-isocyano-9-[4-[5-(10-naphthalen-1-ylanthracen-9-yl)-2-pyridinyl]phenyl]-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-isocyano-15-naphthalen-1-yl-9-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-isocyano-15-naphthalen-2-yl-9-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-isocyano-9-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-15-pyridin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-isocyano-15-phenyl-9-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene
SMILES[C-]#[N+]c1ccc2c3c1ccc1c(-c4c5ccccc5c(-c5ccc(-c6ccccc6)c6ccccc56)c5ccccc45)ccc(c13)n2-c1ccc2ccccc2c1.[C-]#[N+]c1ccc2c3c1ccc1c(-c4c5ccccc5c(-c5ccc(-c6ccccc6)c6ccccc56)c5ccccc45)ccc(c13)n2-c1cccc2ccccc12.[C-]#[N+]c1ccc2c3c1ccc1c(-c4c5ccccc5c(-c5ccc(-c6ccccc6)c6ccccc56)c5ccccc45)ccc(c13)n2-c1ccccc1.[C-]#[N+]c1ccc2c3c1ccc1c(-c4c5ccccc5c(-c5ccc(-c6ccccc6)c6ccccc56)c5ccccc45)ccc(c13)n2-c1cccnc1.[C-]#[N+]c1ccc2c3c1ccc1c(-c4ccc(-c5ccc(-c6c7ccccc7c(-c7cccc8ccccc78)c7ccccc67)cc5)cc4)ccc(c13)n2-c1cccc2cccnc12.[C-]#[N+]c1ccc2c3c1ccc1c(-c4ccc(-c5ccc(-c6c7ccccc7c(-c7cccc8ccccc78)c7ccccc67)cn5)cc4)ccc(c13)n2-c1ccccc1
InChIInChI=1S/C60H35N3.C56H33N3.2C55H32N2.C51H30N2.C50H29N3/c1-61-52-33-35-54-59-51(52)31-30-50-44(32-34-53(58(50)59)63(54)55-21-9-13-42-14-10-36-62-60(42)55)40-26-22-37(23-27-40)38-24-28-41(29-25-38)56-46-16-4-6-18-48(46)57(49-19-7-5-17-47(49)56)45-20-8-12-39-11-2-3-15-43(39)45;1-57-50-31-33-52-56-48(50)28-27-47-41(29-32-51(55(47)56)59(52)39-14-3-2-4-15-39)36-22-24-37(25-23-36)49-30-26-38(34-58-49)53-43-17-7-9-19-45(43)54(46-20-10-8-18-44(46)53)42-21-11-13-35-12-5-6-16-40(35)42;1-56-48-31-33-51-55-47(48)29-28-46-45(30-32-50(54(46)55)57(51)49-25-13-17-35-16-5-6-18-37(35)49)53-42-23-11-9-21-40(42)52(41-22-10-12-24-43(41)53)44-27-26-36(34-14-3-2-4-15-34)38-19-7-8-20-39(38)44;1-56-49-30-32-51-55-48(49)28-27-47-46(29-31-50(54(47)55)57(51)37-24-23-34-13-5-6-16-36(34)33-37)53-43-21-11-9-19-41(43)52(42-20-10-12-22-44(42)53)45-26-25-38(35-14-3-2-4-15-35)39-17-7-8-18-40(39)45;1-52-45-29-31-47-51-44(45)27-26-43-42(28-30-46(50(43)51)53(47)33-16-6-3-7-17-33)49-39-22-12-10-20-37(39)48(38-21-11-13-23-40(38)49)41-25-24-34(32-14-4-2-5-15-32)35-18-8-9-19-36(35)41;1-51-44-26-28-46-50-43(44)24-23-42-41(25-27-45(49(42)50)53(46)32-14-11-29-52-30-32)48-38-19-9-7-17-36(38)47(37-18-8-10-20-39(37)48)40-22-21-33(31-12-3-2-4-13-31)34-15-5-6-16-35(34)40/h2-36H;2-34H;2*2-33H;2-31H;2-30H
InChIKeyLZHBLSNNZQAODR-UHFFFAOYSA-N
XLogP91.30
TPSA94.41 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds26
Heavy Atoms342
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5004330.23
LogP ≤ 591.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 4-isocyano-9-[4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]phenyl]-15-quinolin-8-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-isocyano-9-[4-[5-(10-naphthalen-1-ylanthracen-9-yl)-2-pyridinyl]phenyl]-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-isocyano-15-naphthalen-1-yl-9-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-isocyano-15-naphthalen-2-yl-9-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-isocyano-9-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-15-pyridin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-isocyano-15-phenyl-9-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-isocyano-9-[4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]phenyl]-15-quinolin-8-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-isocyano-9-[4-[5-(10-naphthalen-1-ylanthracen-9-yl)-2-pyridinyl]phenyl]-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-isocyano-15-naphthalen-1-yl-9-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-isocyano-15-naphthalen-2-yl-9-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-isocyano-9-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-15-pyridin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-isocyano-15-phenyl-9-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene?
The IUPAC name of 4-isocyano-9-[4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]phenyl]-15-quinolin-8-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-isocyano-9-[4-[5-(10-naphthalen-1-ylanthracen-9-yl)-2-pyridinyl]phenyl]-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-isocyano-15-naphthalen-1-yl-9-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-isocyano-15-naphthalen-2-yl-9-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-isocyano-9-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-15-pyridin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-isocyano-15-phenyl-9-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene (CID 159500188) is 4-isocyano-9-[4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]phenyl]-15-quinolin-8-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-isocyano-9-[4-[5-(10-naphthalen-1-ylanthracen-9-yl)-2-pyridinyl]phenyl]-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-isocyano-15-naphthalen-1-yl-9-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-isocyano-15-naphthalen-2-yl-9-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-isocyano-9-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-15-pyridin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-isocyano-15-phenyl-9-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene.
What is the SMILES notation for 4-isocyano-9-[4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]phenyl]-15-quinolin-8-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-isocyano-9-[4-[5-(10-naphthalen-1-ylanthracen-9-yl)-2-pyridinyl]phenyl]-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-isocyano-15-naphthalen-1-yl-9-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-isocyano-15-naphthalen-2-yl-9-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-isocyano-9-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-15-pyridin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-isocyano-15-phenyl-9-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene?
The canonical SMILES for 4-isocyano-9-[4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]phenyl]-15-quinolin-8-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-isocyano-9-[4-[5-(10-naphthalen-1-ylanthracen-9-yl)-2-pyridinyl]phenyl]-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-isocyano-15-naphthalen-1-yl-9-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-isocyano-15-naphthalen-2-yl-9-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-isocyano-9-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-15-pyridin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-isocyano-15-phenyl-9-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene is [C-]#[N+]c1ccc2c3c1ccc1c(-c4c5ccccc5c(-c5ccc(-c6ccccc6)c6ccccc56)c5ccccc45)ccc(c13)n2-c1ccc2ccccc2c1.[C-]#[N+]c1ccc2c3c1ccc1c(-c4c5ccccc5c(-c5ccc(-c6ccccc6)c6ccccc56)c5ccccc45)ccc(c13)n2-c1cccc2ccccc12.[C-]#[N+]c1ccc2c3c1ccc1c(-c4c5ccccc5c(-c5ccc(-c6ccccc6)c6ccccc56)c5ccccc45)ccc(c13)n2-c1ccccc1.[C-]#[N+]c1ccc2c3c1ccc1c(-c4c5ccccc5c(-c5ccc(-c6ccccc6)c6ccccc56)c5ccccc45)ccc(c13)n2-c1cccnc1.[C-]#[N+]c1ccc2c3c1ccc1c(-c4ccc(-c5ccc(-c6c7ccccc7c(-c7cccc8ccccc78)c7ccccc67)cc5)cc4)ccc(c13)n2-c1cccc2cccnc12.[C-]#[N+]c1ccc2c3c1ccc1c(-c4ccc(-c5ccc(-c6c7ccccc7c(-c7cccc8ccccc78)c7ccccc67)cn5)cc4)ccc(c13)n2-c1ccccc1.
What is the InChIKey of 4-isocyano-9-[4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]phenyl]-15-quinolin-8-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-isocyano-9-[4-[5-(10-naphthalen-1-ylanthracen-9-yl)-2-pyridinyl]phenyl]-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-isocyano-15-naphthalen-1-yl-9-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-isocyano-15-naphthalen-2-yl-9-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-isocyano-9-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-15-pyridin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-isocyano-15-phenyl-9-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene?
The InChIKey is LZHBLSNNZQAODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H35N3.C56H33N3.2C55H32N2.C51H30N2.C50H29N3/c1-61-52-33-35-54-59-51(52)31-30-50-44(32-34-53(58(50)59)63(54)55-21-9-13-42-14-10-36-62-60(42)55)40-26-22-37(23-27-40)38-24-28-41(29-25-38)56-46-16-4-6-18-48(46)57(49-19-7-5-17-47(49)56)45-20-8-12-39-11-2-3-15-43(39)45;1-57-50-31-33-52-56-48(50)28-27-47-41(29-32-51(55(47)56)59(52)39-14-3-2-4-15-39)36-22-24-37(25-23-36)49-30-26-38(34-58-49)53-43-17-7-9-19-45(43)54(46-20-10-8-18-44(46)53)42-21-11-13-35-12-5-6-16-40(35)42;1-56-48-31-33-51-55-47(48)29-28-46-45(30-32-50(54(46)55)57(51)49-25-13-17-35-16-5-6-18-37(35)49)53-42-23-11-9-21-40(42)52(41-22-10-12-24-43(41)53)44-27-26-36(34-14-3-2-4-15-34)38-19-7-8-20-39(38)44;1-56-49-30-32-51-55-48(49)28-27-47-46(29-31-50(54(47)55)57(51)37-24-23-34-13-5-6-16-36(34)33-37)53-43-21-11-9-19-41(43)52(42-20-10-12-22-44(42)53)45-26-25-38(35-14-3-2-4-15-35)39-17-7-8-18-40(39)45;1-52-45-29-31-47-51-44(45)27-26-43-42(28-30-46(50(43)51)53(47)33-16-6-3-7-17-33)49-39-22-12-10-20-37(39)48(38-21-11-13-23-40(38)49)41-25-24-34(32-14-4-2-5-15-32)35-18-8-9-19-36(35)41;1-51-44-26-28-46-50-43(44)24-23-42-41(25-27-45(49(42)50)53(46)32-14-11-29-52-30-32)48-38-19-9-7-17-36(38)47(37-18-8-10-20-39(37)48)40-22-21-33(31-12-3-2-4-13-31)34-15-5-6-16-35(34)40/h2-36H;2-34H;2*2-33H;2-31H;2-30H.
What are the key properties of 4-isocyano-9-[4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]phenyl]-15-quinolin-8-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-isocyano-9-[4-[5-(10-naphthalen-1-ylanthracen-9-yl)-2-pyridinyl]phenyl]-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-isocyano-15-naphthalen-1-yl-9-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-isocyano-15-naphthalen-2-yl-9-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-isocyano-9-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-15-pyridin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-isocyano-15-phenyl-9-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene?
4-isocyano-9-[4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]phenyl]-15-quinolin-8-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-isocyano-9-[4-[5-(10-naphthalen-1-ylanthracen-9-yl)-2-pyridinyl]phenyl]-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-isocyano-15-naphthalen-1-yl-9-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-isocyano-15-naphthalen-2-yl-9-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-isocyano-9-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-15-pyridin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-isocyano-15-phenyl-9-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene has a molecular weight of 4330.23 g/mol, XLogP of 91.30, 26 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-isocyano-9-[4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]phenyl]-15-quinolin-8-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-isocyano-9-[4-[5-(10-naphthalen-1-ylanthracen-9-yl)-2-pyridinyl]phenyl]-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-isocyano-15-naphthalen-1-yl-9-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-isocyano-15-naphthalen-2-yl-9-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-isocyano-9-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-15-pyridin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;4-isocyano-15-phenyl-9-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene is sourced from PubChem (CID 159500188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).