1-[4-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]phenyl]-4-(4-cyanophenyl)-5H-benzo[lmn]phenanthridine-8-carbonitrile;10-[4-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]phenyl]-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3-carbonitrile;1-[4-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]phenyl]-4-phenyl-5H-benzo[lmn]phenanthridine-8-carbonitrile;10-(9,10-diphenyl-6-pyridin-3-ylanthracen-2-yl)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3-carbonitrile;10-(6-naphthalen-2-yl-9,10-diphenylanthracen-2-yl)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3-carbonitrile;15-phenyl-10-(6,9,10-triphenylanthracen-2-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3-carbonitrile

C378H244N14 — CID 157372498

IUPAC1-[4-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]phenyl]-4-(4-cyanophenyl)-5H-benzo[lmn]phenanthridine-8-carbonitrile;10-[4-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]phenyl]-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3-carbonitrile;1-[4-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]phenyl]-4-phenyl-5H-benzo[lmn]phenanthridine-8-carbonitrile;10-(9,10-diphenyl-6-pyridin-3-ylanthracen-2-yl)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3-carbonitrile;10-(6-naphthalen-2-yl-9,10-diphenylanthracen-2-yl)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3-carbonitrile;15-phenyl-10-(6,9,10-triphenylanthracen-2-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3-carbonitrile
SMILESCC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4cc(-c5ccc(-c6cc7ccc8cc(C#N)cc9c8c7c(c6)n9-c6ccccc6)cc5)ccc34)cc21.CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4cc(-c5ccc(-c6ccc7c8c6ccc6c(C#N)ccc(c68)CN7c6ccc(C#N)cc6)cc5)ccc34)cc21.CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4cc(-c5ccc(-c6ccc7c8c6ccc6c(C#N)ccc(c68)CN7c6ccccc6)cc5)ccc34)cc21.N#Cc1cc2ccc3cc(-c4ccc5c(-c6ccccc6)c6cc(-c7ccc8ccccc8c7)ccc6c(-c6ccccc6)c5c4)cc4c3c2c(c1)n4-c1ccccc1.N#Cc1cc2ccc3cc(-c4ccc5c(-c6ccccc6)c6cc(-c7ccccc7)ccc6c(-c6ccccc6)c5c4)cc4c3c2c(c1)n4-c1ccccc1.N#Cc1cc2ccc3cc(-c4ccc5c(-c6ccccc6)c6cc(-c7cccnc7)ccc6c(-c6ccccc6)c5c4)cc4c3c2c(c1)n4-c1ccccc1
InChIInChI=1S/C73H49N3.C72H50N2.C71H48N2.C57H34N2.C53H32N2.C52H31N3/c1-72(2)63-15-9-7-11-54(63)56-30-26-47(38-65(56)72)68-58-13-5-6-14-59(58)69(48-27-31-57-55-12-8-10-16-64(55)73(3,4)66(57)39-48)62-37-46(25-32-61(62)68)44-19-21-45(22-20-44)52-35-36-67-71-60(52)34-33-53-49(41-75)23-24-50(70(53)71)42-76(67)51-28-17-43(40-74)18-29-51;1-71(2)62-20-12-10-16-53(62)55-31-29-46(39-64(55)71)67-57-18-8-9-19-58(57)68(47-30-32-56-54-17-11-13-21-63(54)72(3,4)65(56)40-47)61-38-45(28-33-60(61)67)43-22-24-44(25-23-43)51-36-37-66-70-59(51)35-34-52-48(41-73)26-27-49(69(52)70)42-74(66)50-14-6-5-7-15-50;1-70(2)60-20-12-10-16-52(60)54-31-29-48(38-62(54)70)66-56-18-8-9-19-57(56)67(49-30-32-55-53-17-11-13-21-61(53)71(3,4)63(55)39-49)59-37-45(28-33-58(59)66)43-22-24-44(25-23-43)50-36-47-27-26-46-34-42(41-72)35-64-68(46)69(47)65(40-50)73(64)51-14-6-5-7-15-51;58-35-36-28-44-22-23-45-31-46(34-53-57(45)56(44)52(29-36)59(53)47-18-8-3-9-19-47)43-25-27-49-51(33-43)55(39-15-6-2-7-16-39)48-26-24-42(32-50(48)54(49)38-13-4-1-5-14-38)41-21-20-37-12-10-11-17-40(37)30-41;54-33-34-27-40-21-22-41-29-42(32-49-53(41)52(40)48(28-34)55(49)43-19-11-4-12-20-43)39-24-26-45-47(31-39)51(37-17-9-3-10-18-37)44-25-23-38(35-13-5-1-6-14-35)30-46(44)50(45)36-15-7-2-8-16-36;53-31-33-25-38-18-19-39-27-41(30-48-52(39)51(38)47(26-33)55(48)42-16-8-3-9-17-42)37-21-23-44-46(29-37)50(35-13-6-2-7-14-35)43-22-20-36(40-15-10-24-54-32-40)28-45(43)49(44)34-11-4-1-5-12-34/h5-39H,42H2,1-4H3;5-40H,42H2,1-4H3;5-40H,1-4H3;1-34H;1-32H;1-30,32H
InChIKeyBJXUCAKUKYPAHH-UHFFFAOYSA-N
MW4982.21 g/mol
LogP100.12
Rot. Bonds30

About 1-[4-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]phenyl]-4-(4-cyanophenyl)-5H-benzo[lmn]phenanthridine-8-carbonitrile;10-[4-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]phenyl]-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3-carbonitrile;1-[4-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]phenyl]-4-phenyl-5H-benzo[lmn]phenanthridine-8-carbonitrile;10-(9,10-diphenyl-6-pyridin-3-ylanthracen-2-yl)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3-carbonitrile;10-(6-naphthalen-2-yl-9,10-diphenylanthracen-2-yl)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3-carbonitrile;15-phenyl-10-(6,9,10-triphenylanthracen-2-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3-carbonitrile

1-[4-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]phenyl]-4-(4-cyanophenyl)-5H-benzo[lmn]phenanthridine-8-carbonitrile;10-[4-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]phenyl]-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3-carbonitrile;1-[4-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]phenyl]-4-phenyl-5H-benzo[lmn]phenanthridine-8-carbonitrile;10-(9,10-diphenyl-6-pyridin-3-ylanthracen-2-yl)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3-carbonitrile;10-(6-naphthalen-2-yl-9,10-diphenylanthracen-2-yl)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3-carbonitrile;15-phenyl-10-(6,9,10-triphenylanthracen-2-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3-carbonitrile (PubChem CID 157372498) has the molecular formula C378H244N14 and a molecular weight of 4982.21 g/mol. Its IUPAC name is 1-[4-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]phenyl]-4-(4-cyanophenyl)-5H-benzo[lmn]phenanthridine-8-carbonitrile;10-[4-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]phenyl]-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3-carbonitrile;1-[4-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]phenyl]-4-phenyl-5H-benzo[lmn]phenanthridine-8-carbonitrile;10-(9,10-diphenyl-6-pyridin-3-ylanthracen-2-yl)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3-carbonitrile;10-(6-naphthalen-2-yl-9,10-diphenylanthracen-2-yl)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3-carbonitrile;15-phenyl-10-(6,9,10-triphenylanthracen-2-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3-carbonitrile.

Molecular Properties

Compound Name1-[4-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]phenyl]-4-(4-cyanophenyl)-5H-benzo[lmn]phenanthridine-8-carbonitrile;10-[4-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]phenyl]-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3-carbonitrile;1-[4-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]phenyl]-4-phenyl-5H-benzo[lmn]phenanthridine-8-carbonitrile;10-(9,10-diphenyl-6-pyridin-3-ylanthracen-2-yl)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3-carbonitrile;10-(6-naphthalen-2-yl-9,10-diphenylanthracen-2-yl)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3-carbonitrile;15-phenyl-10-(6,9,10-triphenylanthracen-2-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3-carbonitrile
PubChem CID157372498
Molecular FormulaC378H244N14
Molecular Weight4982.21 g/mol
Exact Mass4977.95
IUPAC Name1-[4-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]phenyl]-4-(4-cyanophenyl)-5H-benzo[lmn]phenanthridine-8-carbonitrile;10-[4-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]phenyl]-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3-carbonitrile;1-[4-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]phenyl]-4-phenyl-5H-benzo[lmn]phenanthridine-8-carbonitrile;10-(9,10-diphenyl-6-pyridin-3-ylanthracen-2-yl)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3-carbonitrile;10-(6-naphthalen-2-yl-9,10-diphenylanthracen-2-yl)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3-carbonitrile;15-phenyl-10-(6,9,10-triphenylanthracen-2-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3-carbonitrile
SMILESCC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4cc(-c5ccc(-c6cc7ccc8cc(C#N)cc9c8c7c(c6)n9-c6ccccc6)cc5)ccc34)cc21.CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4cc(-c5ccc(-c6ccc7c8c6ccc6c(C#N)ccc(c68)CN7c6ccc(C#N)cc6)cc5)ccc34)cc21.CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4cc(-c5ccc(-c6ccc7c8c6ccc6c(C#N)ccc(c68)CN7c6ccccc6)cc5)ccc34)cc21.N#Cc1cc2ccc3cc(-c4ccc5c(-c6ccccc6)c6cc(-c7ccc8ccccc8c7)ccc6c(-c6ccccc6)c5c4)cc4c3c2c(c1)n4-c1ccccc1.N#Cc1cc2ccc3cc(-c4ccc5c(-c6ccccc6)c6cc(-c7ccccc7)ccc6c(-c6ccccc6)c5c4)cc4c3c2c(c1)n4-c1ccccc1.N#Cc1cc2ccc3cc(-c4ccc5c(-c6ccccc6)c6cc(-c7cccnc7)ccc6c(-c6ccccc6)c5c4)cc4c3c2c(c1)n4-c1ccccc1
InChIInChI=1S/C73H49N3.C72H50N2.C71H48N2.C57H34N2.C53H32N2.C52H31N3/c1-72(2)63-15-9-7-11-54(63)56-30-26-47(38-65(56)72)68-58-13-5-6-14-59(58)69(48-27-31-57-55-12-8-10-16-64(55)73(3,4)66(57)39-48)62-37-46(25-32-61(62)68)44-19-21-45(22-20-44)52-35-36-67-71-60(52)34-33-53-49(41-75)23-24-50(70(53)71)42-76(67)51-28-17-43(40-74)18-29-51;1-71(2)62-20-12-10-16-53(62)55-31-29-46(39-64(55)71)67-57-18-8-9-19-58(57)68(47-30-32-56-54-17-11-13-21-63(54)72(3,4)65(56)40-47)61-38-45(28-33-60(61)67)43-22-24-44(25-23-43)51-36-37-66-70-59(51)35-34-52-48(41-73)26-27-49(69(52)70)42-74(66)50-14-6-5-7-15-50;1-70(2)60-20-12-10-16-52(60)54-31-29-48(38-62(54)70)66-56-18-8-9-19-57(56)67(49-30-32-55-53-17-11-13-21-61(53)71(3,4)63(55)39-49)59-37-45(28-33-58(59)66)43-22-24-44(25-23-43)50-36-47-27-26-46-34-42(41-72)35-64-68(46)69(47)65(40-50)73(64)51-14-6-5-7-15-51;58-35-36-28-44-22-23-45-31-46(34-53-57(45)56(44)52(29-36)59(53)47-18-8-3-9-19-47)43-25-27-49-51(33-43)55(39-15-6-2-7-16-39)48-26-24-42(32-50(48)54(49)38-13-4-1-5-14-38)41-21-20-37-12-10-11-17-40(37)30-41;54-33-34-27-40-21-22-41-29-42(32-49-53(41)52(40)48(28-34)55(49)43-19-11-4-12-20-43)39-24-26-45-47(31-39)51(37-17-9-3-10-18-37)44-25-23-38(35-13-5-1-6-14-35)30-46(44)50(45)36-15-7-2-8-16-36;53-31-33-25-38-18-19-39-27-41(30-48-52(39)51(38)47(26-33)55(48)42-16-8-3-9-17-42)37-21-23-44-46(29-37)50(35-13-6-2-7-14-35)43-22-20-36(40-15-10-24-54-32-40)28-45(43)49(44)34-11-4-1-5-12-34/h5-39H,42H2,1-4H3;5-40H,42H2,1-4H3;5-40H,1-4H3;1-34H;1-32H;1-30,32H
InChIKeyBJXUCAKUKYPAHH-UHFFFAOYSA-N
XLogP100.12
TPSA205.62 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds30
Heavy Atoms392
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004982.21
LogP ≤ 5100.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 1-[4-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]phenyl]-4-(4-cyanophenyl)-5H-benzo[lmn]phenanthridine-8-carbonitrile;10-[4-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]phenyl]-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3-carbonitrile;1-[4-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]phenyl]-4-phenyl-5H-benzo[lmn]phenanthridine-8-carbonitrile;10-(9,10-diphenyl-6-pyridin-3-ylanthracen-2-yl)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3-carbonitrile;10-(6-naphthalen-2-yl-9,10-diphenylanthracen-2-yl)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3-carbonitrile;15-phenyl-10-(6,9,10-triphenylanthracen-2-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]phenyl]-4-(4-cyanophenyl)-5H-benzo[lmn]phenanthridine-8-carbonitrile;10-[4-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]phenyl]-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3-carbonitrile;1-[4-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]phenyl]-4-phenyl-5H-benzo[lmn]phenanthridine-8-carbonitrile;10-(9,10-diphenyl-6-pyridin-3-ylanthracen-2-yl)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3-carbonitrile;10-(6-naphthalen-2-yl-9,10-diphenylanthracen-2-yl)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3-carbonitrile;15-phenyl-10-(6,9,10-triphenylanthracen-2-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3-carbonitrile?
The IUPAC name of 1-[4-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]phenyl]-4-(4-cyanophenyl)-5H-benzo[lmn]phenanthridine-8-carbonitrile;10-[4-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]phenyl]-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3-carbonitrile;1-[4-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]phenyl]-4-phenyl-5H-benzo[lmn]phenanthridine-8-carbonitrile;10-(9,10-diphenyl-6-pyridin-3-ylanthracen-2-yl)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3-carbonitrile;10-(6-naphthalen-2-yl-9,10-diphenylanthracen-2-yl)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3-carbonitrile;15-phenyl-10-(6,9,10-triphenylanthracen-2-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3-carbonitrile (CID 157372498) is 1-[4-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]phenyl]-4-(4-cyanophenyl)-5H-benzo[lmn]phenanthridine-8-carbonitrile;10-[4-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]phenyl]-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3-carbonitrile;1-[4-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]phenyl]-4-phenyl-5H-benzo[lmn]phenanthridine-8-carbonitrile;10-(9,10-diphenyl-6-pyridin-3-ylanthracen-2-yl)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3-carbonitrile;10-(6-naphthalen-2-yl-9,10-diphenylanthracen-2-yl)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3-carbonitrile;15-phenyl-10-(6,9,10-triphenylanthracen-2-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3-carbonitrile.
What is the SMILES notation for 1-[4-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]phenyl]-4-(4-cyanophenyl)-5H-benzo[lmn]phenanthridine-8-carbonitrile;10-[4-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]phenyl]-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3-carbonitrile;1-[4-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]phenyl]-4-phenyl-5H-benzo[lmn]phenanthridine-8-carbonitrile;10-(9,10-diphenyl-6-pyridin-3-ylanthracen-2-yl)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3-carbonitrile;10-(6-naphthalen-2-yl-9,10-diphenylanthracen-2-yl)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3-carbonitrile;15-phenyl-10-(6,9,10-triphenylanthracen-2-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3-carbonitrile?
The canonical SMILES for 1-[4-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]phenyl]-4-(4-cyanophenyl)-5H-benzo[lmn]phenanthridine-8-carbonitrile;10-[4-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]phenyl]-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3-carbonitrile;1-[4-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]phenyl]-4-phenyl-5H-benzo[lmn]phenanthridine-8-carbonitrile;10-(9,10-diphenyl-6-pyridin-3-ylanthracen-2-yl)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3-carbonitrile;10-(6-naphthalen-2-yl-9,10-diphenylanthracen-2-yl)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3-carbonitrile;15-phenyl-10-(6,9,10-triphenylanthracen-2-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3-carbonitrile is CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4cc(-c5ccc(-c6cc7ccc8cc(C#N)cc9c8c7c(c6)n9-c6ccccc6)cc5)ccc34)cc21.CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4cc(-c5ccc(-c6ccc7c8c6ccc6c(C#N)ccc(c68)CN7c6ccc(C#N)cc6)cc5)ccc34)cc21.CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4cc(-c5ccc(-c6ccc7c8c6ccc6c(C#N)ccc(c68)CN7c6ccccc6)cc5)ccc34)cc21.N#Cc1cc2ccc3cc(-c4ccc5c(-c6ccccc6)c6cc(-c7ccc8ccccc8c7)ccc6c(-c6ccccc6)c5c4)cc4c3c2c(c1)n4-c1ccccc1.N#Cc1cc2ccc3cc(-c4ccc5c(-c6ccccc6)c6cc(-c7ccccc7)ccc6c(-c6ccccc6)c5c4)cc4c3c2c(c1)n4-c1ccccc1.N#Cc1cc2ccc3cc(-c4ccc5c(-c6ccccc6)c6cc(-c7cccnc7)ccc6c(-c6ccccc6)c5c4)cc4c3c2c(c1)n4-c1ccccc1.
What is the InChIKey of 1-[4-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]phenyl]-4-(4-cyanophenyl)-5H-benzo[lmn]phenanthridine-8-carbonitrile;10-[4-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]phenyl]-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3-carbonitrile;1-[4-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]phenyl]-4-phenyl-5H-benzo[lmn]phenanthridine-8-carbonitrile;10-(9,10-diphenyl-6-pyridin-3-ylanthracen-2-yl)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3-carbonitrile;10-(6-naphthalen-2-yl-9,10-diphenylanthracen-2-yl)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3-carbonitrile;15-phenyl-10-(6,9,10-triphenylanthracen-2-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3-carbonitrile?
The InChIKey is BJXUCAKUKYPAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H49N3.C72H50N2.C71H48N2.C57H34N2.C53H32N2.C52H31N3/c1-72(2)63-15-9-7-11-54(63)56-30-26-47(38-65(56)72)68-58-13-5-6-14-59(58)69(48-27-31-57-55-12-8-10-16-64(55)73(3,4)66(57)39-48)62-37-46(25-32-61(62)68)44-19-21-45(22-20-44)52-35-36-67-71-60(52)34-33-53-49(41-75)23-24-50(70(53)71)42-76(67)51-28-17-43(40-74)18-29-51;1-71(2)62-20-12-10-16-53(62)55-31-29-46(39-64(55)71)67-57-18-8-9-19-58(57)68(47-30-32-56-54-17-11-13-21-63(54)72(3,4)65(56)40-47)61-38-45(28-33-60(61)67)43-22-24-44(25-23-43)51-36-37-66-70-59(51)35-34-52-48(41-73)26-27-49(69(52)70)42-74(66)50-14-6-5-7-15-50;1-70(2)60-20-12-10-16-52(60)54-31-29-48(38-62(54)70)66-56-18-8-9-19-57(56)67(49-30-32-55-53-17-11-13-21-61(53)71(3,4)63(55)39-49)59-37-45(28-33-58(59)66)43-22-24-44(25-23-43)50-36-47-27-26-46-34-42(41-72)35-64-68(46)69(47)65(40-50)73(64)51-14-6-5-7-15-51;58-35-36-28-44-22-23-45-31-46(34-53-57(45)56(44)52(29-36)59(53)47-18-8-3-9-19-47)43-25-27-49-51(33-43)55(39-15-6-2-7-16-39)48-26-24-42(32-50(48)54(49)38-13-4-1-5-14-38)41-21-20-37-12-10-11-17-40(37)30-41;54-33-34-27-40-21-22-41-29-42(32-49-53(41)52(40)48(28-34)55(49)43-19-11-4-12-20-43)39-24-26-45-47(31-39)51(37-17-9-3-10-18-37)44-25-23-38(35-13-5-1-6-14-35)30-46(44)50(45)36-15-7-2-8-16-36;53-31-33-25-38-18-19-39-27-41(30-48-52(39)51(38)47(26-33)55(48)42-16-8-3-9-17-42)37-21-23-44-46(29-37)50(35-13-6-2-7-14-35)43-22-20-36(40-15-10-24-54-32-40)28-45(43)49(44)34-11-4-1-5-12-34/h5-39H,42H2,1-4H3;5-40H,42H2,1-4H3;5-40H,1-4H3;1-34H;1-32H;1-30,32H.
What are the key properties of 1-[4-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]phenyl]-4-(4-cyanophenyl)-5H-benzo[lmn]phenanthridine-8-carbonitrile;10-[4-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]phenyl]-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3-carbonitrile;1-[4-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]phenyl]-4-phenyl-5H-benzo[lmn]phenanthridine-8-carbonitrile;10-(9,10-diphenyl-6-pyridin-3-ylanthracen-2-yl)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3-carbonitrile;10-(6-naphthalen-2-yl-9,10-diphenylanthracen-2-yl)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3-carbonitrile;15-phenyl-10-(6,9,10-triphenylanthracen-2-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3-carbonitrile?
1-[4-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]phenyl]-4-(4-cyanophenyl)-5H-benzo[lmn]phenanthridine-8-carbonitrile;10-[4-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]phenyl]-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3-carbonitrile;1-[4-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]phenyl]-4-phenyl-5H-benzo[lmn]phenanthridine-8-carbonitrile;10-(9,10-diphenyl-6-pyridin-3-ylanthracen-2-yl)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3-carbonitrile;10-(6-naphthalen-2-yl-9,10-diphenylanthracen-2-yl)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3-carbonitrile;15-phenyl-10-(6,9,10-triphenylanthracen-2-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3-carbonitrile has a molecular weight of 4982.21 g/mol, XLogP of 100.12, 30 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]phenyl]-4-(4-cyanophenyl)-5H-benzo[lmn]phenanthridine-8-carbonitrile;10-[4-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]phenyl]-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3-carbonitrile;1-[4-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]phenyl]-4-phenyl-5H-benzo[lmn]phenanthridine-8-carbonitrile;10-(9,10-diphenyl-6-pyridin-3-ylanthracen-2-yl)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3-carbonitrile;10-(6-naphthalen-2-yl-9,10-diphenylanthracen-2-yl)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3-carbonitrile;15-phenyl-10-(6,9,10-triphenylanthracen-2-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3-carbonitrile is sourced from PubChem (CID 157372498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).