[4-[4,9-bis(4-pyren-2-ylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-15-yl]phenyl]-trimethylsilane;[4-[4,9-di(pyren-1-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-15-yl]phenyl]-trimethylsilane;4,9-di(pyren-2-yl)-15-pyridin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;15-phenyl-4,9-bis(4-pyren-2-ylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;15-phenyl-4,9-di(pyren-1-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;15-phenyl-4-pyren-2-yl-7-(4-pyren-2-ylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene

C347H209N7Si2 — CID 160681491

IUPAC[4-[4,9-bis(4-pyren-2-ylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-15-yl]phenyl]-trimethylsilane;[4-[4,9-di(pyren-1-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-15-yl]phenyl]-trimethylsilane;4,9-di(pyren-2-yl)-15-pyridin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;15-phenyl-4,9-bis(4-pyren-2-ylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;15-phenyl-4,9-di(pyren-1-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;15-phenyl-4-pyren-2-yl-7-(4-pyren-2-ylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene
SMILESC[Si](C)(C)c1ccc(-n2c3ccc(-c4ccc(-c5cc6ccc7cccc8ccc(c5)c6c78)cc4)c4ccc5c(-c6ccc(-c7cc8ccc9cccc%10ccc(c7)c8c9%10)cc6)ccc2c5c43)cc1.C[Si](C)(C)c1ccc(-n2c3ccc(-c4ccc5ccc6cccc7ccc4c5c67)c4ccc5c(-c6ccc7ccc8cccc9ccc6c7c89)ccc2c5c43)cc1.c1ccc(-n2c3ccc(-c4ccc(-c5cc6ccc7cccc8ccc(c5)c6c78)cc4)c4ccc5c(-c6ccc(-c7cc8ccc9cccc%10ccc(c7)c8c9%10)cc6)ccc2c5c43)cc1.c1ccc(-n2c3ccc(-c4ccc5ccc6cccc7ccc4c5c67)c4ccc5c(-c6ccc7ccc8cccc9ccc6c7c89)ccc2c5c43)cc1.c1ccc(-n2c3cccc4c(-c5ccc(-c6cc7ccc8cccc9ccc(c6)c7c89)cc5)cc5c(-c6cc7ccc8cccc9ccc(c6)c7c89)ccc2c5c43)cc1.c1cncc(-n2c3ccc(-c4cc5ccc6cccc7ccc(c4)c5c67)c4ccc5c(-c6cc7ccc8cccc9ccc(c6)c7c89)ccc2c5c43)c1
InChIInChI=1S/C67H45NSi.C64H37N.C58H33N.C55H37NSi.C52H29N.C51H28N2/c1-69(2,3)55-28-26-54(27-29-55)68-60-34-32-56(42-14-10-40(11-15-42)52-36-48-22-18-44-6-4-7-45-19-23-49(37-52)64(48)62(44)45)58-30-31-59-57(33-35-61(68)67(59)66(58)60)43-16-12-41(13-17-43)53-38-50-24-20-46-8-5-9-47-21-25-51(39-53)65(50)63(46)47;1-2-10-52(11-3-1)65-57-32-30-53(40-16-12-38(13-17-40)50-34-46-24-20-42-6-4-7-43-21-25-47(35-50)61(46)59(42)43)55-28-29-56-54(31-33-58(65)64(56)63(55)57)41-18-14-39(15-19-41)51-36-48-26-22-44-8-5-9-45-23-27-49(37-51)62(48)60(44)45;1-2-11-46(12-3-1)59-51-14-6-13-48-49(35-17-15-34(16-18-35)44-29-40-23-19-36-7-4-8-37-20-24-41(30-44)55(40)53(36)37)33-50-47(27-28-52(59)58(50)57(48)51)45-31-42-25-21-38-9-5-10-39-22-26-43(32-45)56(42)54(38)39;1-57(2,3)39-20-18-38(19-21-39)56-48-30-28-42(40-22-14-36-12-10-32-6-4-8-34-16-24-44(40)52(36)50(32)34)46-26-27-47-43(29-31-49(56)55(47)54(46)48)41-23-15-37-13-11-33-7-5-9-35-17-25-45(41)53(37)51(33)35;1-2-10-36(11-3-1)53-45-28-26-39(37-20-16-34-14-12-30-6-4-8-32-18-22-41(37)49(34)47(30)32)43-24-25-44-40(27-29-46(53)52(44)51(43)45)38-21-17-35-15-13-31-7-5-9-33-19-23-42(38)50(35)48(31)33;1-4-29-9-13-33-24-37(25-34-14-10-30(5-1)46(29)48(33)34)40-19-21-44-50-42(40)17-18-43-41(20-22-45(51(43)50)53(44)39-8-3-23-52-28-39)38-26-35-15-11-31-6-2-7-32-12-16-36(27-38)49(35)47(31)32/h4-39H,1-3H3;1-37H;1-33H;4-31H,1-3H3;1-29H;1-28H
InChIKeyROEXIJQQOGPEKU-UHFFFAOYSA-N
MW4532.71 g/mol
LogP95.84
Rot. Bonds25

About [4-[4,9-bis(4-pyren-2-ylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-15-yl]phenyl]-trimethylsilane;[4-[4,9-di(pyren-1-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-15-yl]phenyl]-trimethylsilane;4,9-di(pyren-2-yl)-15-pyridin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;15-phenyl-4,9-bis(4-pyren-2-ylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;15-phenyl-4,9-di(pyren-1-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;15-phenyl-4-pyren-2-yl-7-(4-pyren-2-ylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene

[4-[4,9-bis(4-pyren-2-ylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-15-yl]phenyl]-trimethylsilane;[4-[4,9-di(pyren-1-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-15-yl]phenyl]-trimethylsilane;4,9-di(pyren-2-yl)-15-pyridin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;15-phenyl-4,9-bis(4-pyren-2-ylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;15-phenyl-4,9-di(pyren-1-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;15-phenyl-4-pyren-2-yl-7-(4-pyren-2-ylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene (PubChem CID 160681491) has the molecular formula C347H209N7Si2 and a molecular weight of 4532.71 g/mol. Its IUPAC name is [4-[4,9-bis(4-pyren-2-ylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-15-yl]phenyl]-trimethylsilane;[4-[4,9-di(pyren-1-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-15-yl]phenyl]-trimethylsilane;4,9-di(pyren-2-yl)-15-pyridin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;15-phenyl-4,9-bis(4-pyren-2-ylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;15-phenyl-4,9-di(pyren-1-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;15-phenyl-4-pyren-2-yl-7-(4-pyren-2-ylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene.

Molecular Properties

Compound Name[4-[4,9-bis(4-pyren-2-ylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-15-yl]phenyl]-trimethylsilane;[4-[4,9-di(pyren-1-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-15-yl]phenyl]-trimethylsilane;4,9-di(pyren-2-yl)-15-pyridin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;15-phenyl-4,9-bis(4-pyren-2-ylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;15-phenyl-4,9-di(pyren-1-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;15-phenyl-4-pyren-2-yl-7-(4-pyren-2-ylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene
PubChem CID160681491
Molecular FormulaC347H209N7Si2
Molecular Weight4532.71 g/mol
Exact Mass4528.61
IUPAC Name[4-[4,9-bis(4-pyren-2-ylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-15-yl]phenyl]-trimethylsilane;[4-[4,9-di(pyren-1-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-15-yl]phenyl]-trimethylsilane;4,9-di(pyren-2-yl)-15-pyridin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;15-phenyl-4,9-bis(4-pyren-2-ylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;15-phenyl-4,9-di(pyren-1-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;15-phenyl-4-pyren-2-yl-7-(4-pyren-2-ylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene
SMILESC[Si](C)(C)c1ccc(-n2c3ccc(-c4ccc(-c5cc6ccc7cccc8ccc(c5)c6c78)cc4)c4ccc5c(-c6ccc(-c7cc8ccc9cccc%10ccc(c7)c8c9%10)cc6)ccc2c5c43)cc1.C[Si](C)(C)c1ccc(-n2c3ccc(-c4ccc5ccc6cccc7ccc4c5c67)c4ccc5c(-c6ccc7ccc8cccc9ccc6c7c89)ccc2c5c43)cc1.c1ccc(-n2c3ccc(-c4ccc(-c5cc6ccc7cccc8ccc(c5)c6c78)cc4)c4ccc5c(-c6ccc(-c7cc8ccc9cccc%10ccc(c7)c8c9%10)cc6)ccc2c5c43)cc1.c1ccc(-n2c3ccc(-c4ccc5ccc6cccc7ccc4c5c67)c4ccc5c(-c6ccc7ccc8cccc9ccc6c7c89)ccc2c5c43)cc1.c1ccc(-n2c3cccc4c(-c5ccc(-c6cc7ccc8cccc9ccc(c6)c7c89)cc5)cc5c(-c6cc7ccc8cccc9ccc(c6)c7c89)ccc2c5c43)cc1.c1cncc(-n2c3ccc(-c4cc5ccc6cccc7ccc(c4)c5c67)c4ccc5c(-c6cc7ccc8cccc9ccc(c6)c7c89)ccc2c5c43)c1
InChIInChI=1S/C67H45NSi.C64H37N.C58H33N.C55H37NSi.C52H29N.C51H28N2/c1-69(2,3)55-28-26-54(27-29-55)68-60-34-32-56(42-14-10-40(11-15-42)52-36-48-22-18-44-6-4-7-45-19-23-49(37-52)64(48)62(44)45)58-30-31-59-57(33-35-61(68)67(59)66(58)60)43-16-12-41(13-17-43)53-38-50-24-20-46-8-5-9-47-21-25-51(39-53)65(50)63(46)47;1-2-10-52(11-3-1)65-57-32-30-53(40-16-12-38(13-17-40)50-34-46-24-20-42-6-4-7-43-21-25-47(35-50)61(46)59(42)43)55-28-29-56-54(31-33-58(65)64(56)63(55)57)41-18-14-39(15-19-41)51-36-48-26-22-44-8-5-9-45-23-27-49(37-51)62(48)60(44)45;1-2-11-46(12-3-1)59-51-14-6-13-48-49(35-17-15-34(16-18-35)44-29-40-23-19-36-7-4-8-37-20-24-41(30-44)55(40)53(36)37)33-50-47(27-28-52(59)58(50)57(48)51)45-31-42-25-21-38-9-5-10-39-22-26-43(32-45)56(42)54(38)39;1-57(2,3)39-20-18-38(19-21-39)56-48-30-28-42(40-22-14-36-12-10-32-6-4-8-34-16-24-44(40)52(36)50(32)34)46-26-27-47-43(29-31-49(56)55(47)54(46)48)41-23-15-37-13-11-33-7-5-9-35-17-25-45(41)53(37)51(33)35;1-2-10-36(11-3-1)53-45-28-26-39(37-20-16-34-14-12-30-6-4-8-32-18-22-41(37)49(34)47(30)32)43-24-25-44-40(27-29-46(53)52(44)51(43)45)38-21-17-35-15-13-31-7-5-9-33-19-23-42(38)50(35)48(31)33;1-4-29-9-13-33-24-37(25-34-14-10-30(5-1)46(29)48(33)34)40-19-21-44-50-42(40)17-18-43-41(20-22-45(51(43)50)53(44)39-8-3-23-52-28-39)38-26-35-15-11-31-6-2-7-32-12-16-36(27-38)49(35)47(31)32/h4-39H,1-3H3;1-37H;1-33H;4-31H,1-3H3;1-29H;1-28H
InChIKeyROEXIJQQOGPEKU-UHFFFAOYSA-N
XLogP95.84
TPSA42.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds25
Heavy Atoms356
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5004532.71
LogP ≤ 595.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [4-[4,9-bis(4-pyren-2-ylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-15-yl]phenyl]-trimethylsilane;[4-[4,9-di(pyren-1-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-15-yl]phenyl]-trimethylsilane;4,9-di(pyren-2-yl)-15-pyridin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;15-phenyl-4,9-bis(4-pyren-2-ylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;15-phenyl-4,9-di(pyren-1-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;15-phenyl-4-pyren-2-yl-7-(4-pyren-2-ylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene with MolForge

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Related Compounds

9-[4-[6-(4-pyridin-3-ylphenyl)pyren-1-yl]phenyl]carbazole
CID 58273614
15-phenyl-9-[4-(7-phenylpyren-2-yl)phenyl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4-carbonitrile;15-phenyl-9-(4-pyren-2-ylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4-carbonitrile
CID 160632415
7-phenyl-4,9-di(pyren-2-yl)benzo[c]carbazole
CID 139341378
7-phenyl-9-(9-pyridin-3-ylcarbazol-3-yl)benzo[c]carbazole
CID 129294310
9-phenyl-4-[3-phenyl-5-(4-pyren-2-ylphenyl)phenyl]carbazole
CID 90126083
9-(4-pyren-2-ylphenyl)carbazole
CID 58273485
15-(3,5-diphenylphenyl)-4-(9-phenylcarbazol-3-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;15-(4,6-diphenyl-2-pyridinyl)-4-(9-phenylcarbazol-3-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene
CID 159032917
3,6-bis(4-naphthalen-2-ylphenyl)-9-pyridin-3-ylcarbazole
CID 177074748
9-[3-[6-(4-methylphenyl)pyren-1-yl]phenyl]carbazole;9-[4-(8-naphthalen-2-ylpyren-1-yl)phenyl]carbazole;9-[3-(6-phenylpyren-1-yl)phenyl]carbazole
CID 160792996
9-phenyl-2-(6-pyridin-4-ylpyren-1-yl)carbazole
CID 135130218
2-isocyano-9-phenyl-7-(7-phenylpyren-2-yl)carbazole;2-isocyano-9-phenyl-7-pyren-2-ylcarbazole;2-isocyano-9-phenyl-7-(7-pyridin-3-ylpyren-2-yl)carbazole
CID 160942314
3-[9-(3,5-diphenylphenyl)carbazol-2-yl]-9-[3-(4,6-diphenyl-2-pyridinyl)phenyl]carbazole;[4-[2-[9-[3-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]-trimethylsilane;2-[9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-3-yl]-9-phenylcarbazole;2-[9-[3-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole;2-[9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole;2-[9-[3-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-3-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 158934272

Frequently Asked Questions

What is the IUPAC name of [4-[4,9-bis(4-pyren-2-ylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-15-yl]phenyl]-trimethylsilane;[4-[4,9-di(pyren-1-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-15-yl]phenyl]-trimethylsilane;4,9-di(pyren-2-yl)-15-pyridin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;15-phenyl-4,9-bis(4-pyren-2-ylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;15-phenyl-4,9-di(pyren-1-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;15-phenyl-4-pyren-2-yl-7-(4-pyren-2-ylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene?
The IUPAC name of [4-[4,9-bis(4-pyren-2-ylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-15-yl]phenyl]-trimethylsilane;[4-[4,9-di(pyren-1-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-15-yl]phenyl]-trimethylsilane;4,9-di(pyren-2-yl)-15-pyridin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;15-phenyl-4,9-bis(4-pyren-2-ylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;15-phenyl-4,9-di(pyren-1-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;15-phenyl-4-pyren-2-yl-7-(4-pyren-2-ylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene (CID 160681491) is [4-[4,9-bis(4-pyren-2-ylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-15-yl]phenyl]-trimethylsilane;[4-[4,9-di(pyren-1-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-15-yl]phenyl]-trimethylsilane;4,9-di(pyren-2-yl)-15-pyridin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;15-phenyl-4,9-bis(4-pyren-2-ylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;15-phenyl-4,9-di(pyren-1-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;15-phenyl-4-pyren-2-yl-7-(4-pyren-2-ylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene.
What is the SMILES notation for [4-[4,9-bis(4-pyren-2-ylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-15-yl]phenyl]-trimethylsilane;[4-[4,9-di(pyren-1-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-15-yl]phenyl]-trimethylsilane;4,9-di(pyren-2-yl)-15-pyridin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;15-phenyl-4,9-bis(4-pyren-2-ylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;15-phenyl-4,9-di(pyren-1-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;15-phenyl-4-pyren-2-yl-7-(4-pyren-2-ylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene?
The canonical SMILES for [4-[4,9-bis(4-pyren-2-ylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-15-yl]phenyl]-trimethylsilane;[4-[4,9-di(pyren-1-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-15-yl]phenyl]-trimethylsilane;4,9-di(pyren-2-yl)-15-pyridin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;15-phenyl-4,9-bis(4-pyren-2-ylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;15-phenyl-4,9-di(pyren-1-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;15-phenyl-4-pyren-2-yl-7-(4-pyren-2-ylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene is C[Si](C)(C)c1ccc(-n2c3ccc(-c4ccc(-c5cc6ccc7cccc8ccc(c5)c6c78)cc4)c4ccc5c(-c6ccc(-c7cc8ccc9cccc%10ccc(c7)c8c9%10)cc6)ccc2c5c43)cc1.C[Si](C)(C)c1ccc(-n2c3ccc(-c4ccc5ccc6cccc7ccc4c5c67)c4ccc5c(-c6ccc7ccc8cccc9ccc6c7c89)ccc2c5c43)cc1.c1ccc(-n2c3ccc(-c4ccc(-c5cc6ccc7cccc8ccc(c5)c6c78)cc4)c4ccc5c(-c6ccc(-c7cc8ccc9cccc%10ccc(c7)c8c9%10)cc6)ccc2c5c43)cc1.c1ccc(-n2c3ccc(-c4ccc5ccc6cccc7ccc4c5c67)c4ccc5c(-c6ccc7ccc8cccc9ccc6c7c89)ccc2c5c43)cc1.c1ccc(-n2c3cccc4c(-c5ccc(-c6cc7ccc8cccc9ccc(c6)c7c89)cc5)cc5c(-c6cc7ccc8cccc9ccc(c6)c7c89)ccc2c5c43)cc1.c1cncc(-n2c3ccc(-c4cc5ccc6cccc7ccc(c4)c5c67)c4ccc5c(-c6cc7ccc8cccc9ccc(c6)c7c89)ccc2c5c43)c1.
What is the InChIKey of [4-[4,9-bis(4-pyren-2-ylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-15-yl]phenyl]-trimethylsilane;[4-[4,9-di(pyren-1-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-15-yl]phenyl]-trimethylsilane;4,9-di(pyren-2-yl)-15-pyridin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;15-phenyl-4,9-bis(4-pyren-2-ylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;15-phenyl-4,9-di(pyren-1-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;15-phenyl-4-pyren-2-yl-7-(4-pyren-2-ylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene?
The InChIKey is ROEXIJQQOGPEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H45NSi.C64H37N.C58H33N.C55H37NSi.C52H29N.C51H28N2/c1-69(2,3)55-28-26-54(27-29-55)68-60-34-32-56(42-14-10-40(11-15-42)52-36-48-22-18-44-6-4-7-45-19-23-49(37-52)64(48)62(44)45)58-30-31-59-57(33-35-61(68)67(59)66(58)60)43-16-12-41(13-17-43)53-38-50-24-20-46-8-5-9-47-21-25-51(39-53)65(50)63(46)47;1-2-10-52(11-3-1)65-57-32-30-53(40-16-12-38(13-17-40)50-34-46-24-20-42-6-4-7-43-21-25-47(35-50)61(46)59(42)43)55-28-29-56-54(31-33-58(65)64(56)63(55)57)41-18-14-39(15-19-41)51-36-48-26-22-44-8-5-9-45-23-27-49(37-51)62(48)60(44)45;1-2-11-46(12-3-1)59-51-14-6-13-48-49(35-17-15-34(16-18-35)44-29-40-23-19-36-7-4-8-37-20-24-41(30-44)55(40)53(36)37)33-50-47(27-28-52(59)58(50)57(48)51)45-31-42-25-21-38-9-5-10-39-22-26-43(32-45)56(42)54(38)39;1-57(2,3)39-20-18-38(19-21-39)56-48-30-28-42(40-22-14-36-12-10-32-6-4-8-34-16-24-44(40)52(36)50(32)34)46-26-27-47-43(29-31-49(56)55(47)54(46)48)41-23-15-37-13-11-33-7-5-9-35-17-25-45(41)53(37)51(33)35;1-2-10-36(11-3-1)53-45-28-26-39(37-20-16-34-14-12-30-6-4-8-32-18-22-41(37)49(34)47(30)32)43-24-25-44-40(27-29-46(53)52(44)51(43)45)38-21-17-35-15-13-31-7-5-9-33-19-23-42(38)50(35)48(31)33;1-4-29-9-13-33-24-37(25-34-14-10-30(5-1)46(29)48(33)34)40-19-21-44-50-42(40)17-18-43-41(20-22-45(51(43)50)53(44)39-8-3-23-52-28-39)38-26-35-15-11-31-6-2-7-32-12-16-36(27-38)49(35)47(31)32/h4-39H,1-3H3;1-37H;1-33H;4-31H,1-3H3;1-29H;1-28H.
What are the key properties of [4-[4,9-bis(4-pyren-2-ylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-15-yl]phenyl]-trimethylsilane;[4-[4,9-di(pyren-1-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-15-yl]phenyl]-trimethylsilane;4,9-di(pyren-2-yl)-15-pyridin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;15-phenyl-4,9-bis(4-pyren-2-ylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;15-phenyl-4,9-di(pyren-1-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;15-phenyl-4-pyren-2-yl-7-(4-pyren-2-ylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene?
[4-[4,9-bis(4-pyren-2-ylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-15-yl]phenyl]-trimethylsilane;[4-[4,9-di(pyren-1-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-15-yl]phenyl]-trimethylsilane;4,9-di(pyren-2-yl)-15-pyridin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;15-phenyl-4,9-bis(4-pyren-2-ylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;15-phenyl-4,9-di(pyren-1-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;15-phenyl-4-pyren-2-yl-7-(4-pyren-2-ylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene has a molecular weight of 4532.71 g/mol, XLogP of 95.84, 25 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4,9-bis(4-pyren-2-ylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-15-yl]phenyl]-trimethylsilane;[4-[4,9-di(pyren-1-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-15-yl]phenyl]-trimethylsilane;4,9-di(pyren-2-yl)-15-pyridin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;15-phenyl-4,9-bis(4-pyren-2-ylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;15-phenyl-4,9-di(pyren-1-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene;15-phenyl-4-pyren-2-yl-7-(4-pyren-2-ylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene is sourced from PubChem (CID 160681491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).