2-[3-[12-[3-(2-cyanophenyl)phenyl]chrysen-6-yl]phenyl]benzonitrile;3-[3,5-di(chrysen-6-yl)phenyl]benzonitrile;2-[4-[12-[4-(2-isocyanophenyl)phenyl]chrysen-6-yl]phenyl]benzonitrile;3-[3-[12-[3-(3-isocyanophenyl)phenyl]chrysen-6-yl]phenyl]benzonitrile;3-[3-[12-[3-(4-isocyanophenyl)phenyl]chrysen-6-yl]phenyl]benzonitrile;3-[4-[12-[4-(3-isocyanophenyl)phenyl]chrysen-6-yl]phenyl]benzonitrile;4-[4-[12-[4-(4-isocyanophenyl)phenyl]chrysen-6-yl]phenyl]benzonitrile

C313H185N13 — CID 159263479

IUPAC2-[3-[12-[3-(2-cyanophenyl)phenyl]chrysen-6-yl]phenyl]benzonitrile;3-[3,5-di(chrysen-6-yl)phenyl]benzonitrile;2-[4-[12-[4-(2-isocyanophenyl)phenyl]chrysen-6-yl]phenyl]benzonitrile;3-[3-[12-[3-(3-isocyanophenyl)phenyl]chrysen-6-yl]phenyl]benzonitrile;3-[3-[12-[3-(4-isocyanophenyl)phenyl]chrysen-6-yl]phenyl]benzonitrile;3-[4-[12-[4-(3-isocyanophenyl)phenyl]chrysen-6-yl]phenyl]benzonitrile;4-[4-[12-[4-(4-isocyanophenyl)phenyl]chrysen-6-yl]phenyl]benzonitrile
SMILESN#Cc1cccc(-c2cc(-c3cc4c5ccccc5ccc4c4ccccc34)cc(-c3cc4c5ccccc5ccc4c4ccccc34)c2)c1.N#Cc1ccccc1-c1cccc(-c2cc3c4ccccc4c(-c4cccc(-c5ccccc5C#N)c4)cc3c3ccccc23)c1.[C-]#[N+]c1ccc(-c2ccc(-c3cc4c5ccccc5c(-c5ccc(-c6ccc(C#N)cc6)cc5)cc4c4ccccc34)cc2)cc1.[C-]#[N+]c1ccc(-c2cccc(-c3cc4c5ccccc5c(-c5cccc(-c6cccc(C#N)c6)c5)cc4c4ccccc34)c2)cc1.[C-]#[N+]c1cccc(-c2ccc(-c3cc4c5ccccc5c(-c5ccc(-c6cccc(C#N)c6)cc5)cc4c4ccccc34)cc2)c1.[C-]#[N+]c1cccc(-c2cccc(-c3cc4c5ccccc5c(-c5cccc(-c6cccc(C#N)c6)c5)cc4c4ccccc34)c2)c1.[C-]#[N+]c1ccccc1-c1ccc(-c2cc3c4ccccc4c(-c4ccc(-c5ccccc5C#N)cc4)cc3c3ccccc23)cc1
InChIInChI=1S/C49H29N.6C44H26N2/c50-30-31-10-9-13-34(24-31)35-25-36(46-28-48-38-14-3-1-11-32(38)20-22-44(48)40-16-5-7-18-42(40)46)27-37(26-35)47-29-49-39-15-4-2-12-33(39)21-23-45(49)41-17-6-8-19-43(41)47;1-46-36-17-9-14-33(25-36)32-13-8-16-35(24-32)42-27-44-39-20-4-2-18-37(39)41(26-43(44)40-21-5-3-19-38(40)42)34-15-7-12-31(23-34)30-11-6-10-29(22-30)28-45;1-46-36-21-19-30(20-22-36)32-11-7-13-34(24-32)41-26-43-40-18-5-3-16-38(40)42(27-44(43)39-17-4-2-15-37(39)41)35-14-8-12-33(25-35)31-10-6-9-29(23-31)28-45;1-46-36-11-7-10-35(25-36)31-18-22-33(23-19-31)42-27-44-39-14-4-2-12-37(39)41(26-43(44)40-15-5-3-13-38(40)42)32-20-16-30(17-21-32)34-9-6-8-29(24-34)28-45;1-46-36-24-22-33(23-25-36)32-16-20-35(21-17-32)42-27-44-39-8-4-2-6-37(39)41(26-43(44)40-9-5-3-7-38(40)42)34-18-14-31(15-19-34)30-12-10-29(28-45)11-13-30;1-46-44-17-9-8-12-35(44)30-20-24-32(25-21-30)41-27-43-38-15-6-4-13-36(38)40(26-42(43)39-16-7-5-14-37(39)41)31-22-18-29(19-23-31)34-11-3-2-10-33(34)28-45;45-27-33-11-1-3-17-35(33)29-13-9-15-31(23-29)41-25-43-40-22-8-6-20-38(40)42(26-44(43)39-21-7-5-19-37(39)41)32-16-10-14-30(24-32)36-18-4-2-12-34(36)28-46/h1-29H;5*2-27H;1-26H
InChIKeyKWUMNJYWOPTMOV-UHFFFAOYSA-N
MW4128.01 g/mol
LogP86.22
Rot. Bonds27

About 2-[3-[12-[3-(2-cyanophenyl)phenyl]chrysen-6-yl]phenyl]benzonitrile;3-[3,5-di(chrysen-6-yl)phenyl]benzonitrile;2-[4-[12-[4-(2-isocyanophenyl)phenyl]chrysen-6-yl]phenyl]benzonitrile;3-[3-[12-[3-(3-isocyanophenyl)phenyl]chrysen-6-yl]phenyl]benzonitrile;3-[3-[12-[3-(4-isocyanophenyl)phenyl]chrysen-6-yl]phenyl]benzonitrile;3-[4-[12-[4-(3-isocyanophenyl)phenyl]chrysen-6-yl]phenyl]benzonitrile;4-[4-[12-[4-(4-isocyanophenyl)phenyl]chrysen-6-yl]phenyl]benzonitrile

2-[3-[12-[3-(2-cyanophenyl)phenyl]chrysen-6-yl]phenyl]benzonitrile;3-[3,5-di(chrysen-6-yl)phenyl]benzonitrile;2-[4-[12-[4-(2-isocyanophenyl)phenyl]chrysen-6-yl]phenyl]benzonitrile;3-[3-[12-[3-(3-isocyanophenyl)phenyl]chrysen-6-yl]phenyl]benzonitrile;3-[3-[12-[3-(4-isocyanophenyl)phenyl]chrysen-6-yl]phenyl]benzonitrile;3-[4-[12-[4-(3-isocyanophenyl)phenyl]chrysen-6-yl]phenyl]benzonitrile;4-[4-[12-[4-(4-isocyanophenyl)phenyl]chrysen-6-yl]phenyl]benzonitrile (PubChem CID 159263479) has the molecular formula C313H185N13 and a molecular weight of 4128.01 g/mol. Its IUPAC name is 2-[3-[12-[3-(2-cyanophenyl)phenyl]chrysen-6-yl]phenyl]benzonitrile;3-[3,5-di(chrysen-6-yl)phenyl]benzonitrile;2-[4-[12-[4-(2-isocyanophenyl)phenyl]chrysen-6-yl]phenyl]benzonitrile;3-[3-[12-[3-(3-isocyanophenyl)phenyl]chrysen-6-yl]phenyl]benzonitrile;3-[3-[12-[3-(4-isocyanophenyl)phenyl]chrysen-6-yl]phenyl]benzonitrile;3-[4-[12-[4-(3-isocyanophenyl)phenyl]chrysen-6-yl]phenyl]benzonitrile;4-[4-[12-[4-(4-isocyanophenyl)phenyl]chrysen-6-yl]phenyl]benzonitrile.

Molecular Properties

Compound Name2-[3-[12-[3-(2-cyanophenyl)phenyl]chrysen-6-yl]phenyl]benzonitrile;3-[3,5-di(chrysen-6-yl)phenyl]benzonitrile;2-[4-[12-[4-(2-isocyanophenyl)phenyl]chrysen-6-yl]phenyl]benzonitrile;3-[3-[12-[3-(3-isocyanophenyl)phenyl]chrysen-6-yl]phenyl]benzonitrile;3-[3-[12-[3-(4-isocyanophenyl)phenyl]chrysen-6-yl]phenyl]benzonitrile;3-[4-[12-[4-(3-isocyanophenyl)phenyl]chrysen-6-yl]phenyl]benzonitrile;4-[4-[12-[4-(4-isocyanophenyl)phenyl]chrysen-6-yl]phenyl]benzonitrile
PubChem CID159263479
Molecular FormulaC313H185N13
Molecular Weight4128.01 g/mol
Exact Mass4124.49
IUPAC Name2-[3-[12-[3-(2-cyanophenyl)phenyl]chrysen-6-yl]phenyl]benzonitrile;3-[3,5-di(chrysen-6-yl)phenyl]benzonitrile;2-[4-[12-[4-(2-isocyanophenyl)phenyl]chrysen-6-yl]phenyl]benzonitrile;3-[3-[12-[3-(3-isocyanophenyl)phenyl]chrysen-6-yl]phenyl]benzonitrile;3-[3-[12-[3-(4-isocyanophenyl)phenyl]chrysen-6-yl]phenyl]benzonitrile;3-[4-[12-[4-(3-isocyanophenyl)phenyl]chrysen-6-yl]phenyl]benzonitrile;4-[4-[12-[4-(4-isocyanophenyl)phenyl]chrysen-6-yl]phenyl]benzonitrile
SMILESN#Cc1cccc(-c2cc(-c3cc4c5ccccc5ccc4c4ccccc34)cc(-c3cc4c5ccccc5ccc4c4ccccc34)c2)c1.N#Cc1ccccc1-c1cccc(-c2cc3c4ccccc4c(-c4cccc(-c5ccccc5C#N)c4)cc3c3ccccc23)c1.[C-]#[N+]c1ccc(-c2ccc(-c3cc4c5ccccc5c(-c5ccc(-c6ccc(C#N)cc6)cc5)cc4c4ccccc34)cc2)cc1.[C-]#[N+]c1ccc(-c2cccc(-c3cc4c5ccccc5c(-c5cccc(-c6cccc(C#N)c6)c5)cc4c4ccccc34)c2)cc1.[C-]#[N+]c1cccc(-c2ccc(-c3cc4c5ccccc5c(-c5ccc(-c6cccc(C#N)c6)cc5)cc4c4ccccc34)cc2)c1.[C-]#[N+]c1cccc(-c2cccc(-c3cc4c5ccccc5c(-c5cccc(-c6cccc(C#N)c6)c5)cc4c4ccccc34)c2)c1.[C-]#[N+]c1ccccc1-c1ccc(-c2cc3c4ccccc4c(-c4ccc(-c5ccccc5C#N)cc4)cc3c3ccccc23)cc1
InChIInChI=1S/C49H29N.6C44H26N2/c50-30-31-10-9-13-34(24-31)35-25-36(46-28-48-38-14-3-1-11-32(38)20-22-44(48)40-16-5-7-18-42(40)46)27-37(26-35)47-29-49-39-15-4-2-12-33(39)21-23-45(49)41-17-6-8-19-43(41)47;1-46-36-17-9-14-33(25-36)32-13-8-16-35(24-32)42-27-44-39-20-4-2-18-37(39)41(26-43(44)40-21-5-3-19-38(40)42)34-15-7-12-31(23-34)30-11-6-10-29(22-30)28-45;1-46-36-21-19-30(20-22-36)32-11-7-13-34(24-32)41-26-43-40-18-5-3-16-38(40)42(27-44(43)39-17-4-2-15-37(39)41)35-14-8-12-33(25-35)31-10-6-9-29(23-31)28-45;1-46-36-11-7-10-35(25-36)31-18-22-33(23-19-31)42-27-44-39-14-4-2-12-37(39)41(26-43(44)40-15-5-3-13-38(40)42)32-20-16-30(17-21-32)34-9-6-8-29(24-34)28-45;1-46-36-24-22-33(23-25-36)32-16-20-35(21-17-32)42-27-44-39-8-4-2-6-37(39)41(26-43(44)40-9-5-3-7-38(40)42)34-18-14-31(15-19-34)30-12-10-29(28-45)11-13-30;1-46-44-17-9-8-12-35(44)30-20-24-32(25-21-30)41-27-43-38-15-6-4-13-36(38)40(26-42(43)39-16-7-5-14-37(39)41)31-22-18-29(19-23-31)34-11-3-2-10-33(34)28-45;45-27-33-11-1-3-17-35(33)29-13-9-15-31(23-29)41-25-43-40-22-8-6-20-38(40)42(26-44(43)39-21-7-5-19-37(39)41)32-16-10-14-30(24-32)36-18-4-2-12-34(36)28-46/h1-29H;5*2-27H;1-26H
InChIKeyKWUMNJYWOPTMOV-UHFFFAOYSA-N
XLogP86.22
TPSA212.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds27
Heavy Atoms326
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5004128.01
LogP ≤ 586.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[3-[12-[3-(2-cyanophenyl)phenyl]chrysen-6-yl]phenyl]benzonitrile;3-[3,5-di(chrysen-6-yl)phenyl]benzonitrile;2-[4-[12-[4-(2-isocyanophenyl)phenyl]chrysen-6-yl]phenyl]benzonitrile;3-[3-[12-[3-(3-isocyanophenyl)phenyl]chrysen-6-yl]phenyl]benzonitrile;3-[3-[12-[3-(4-isocyanophenyl)phenyl]chrysen-6-yl]phenyl]benzonitrile;3-[4-[12-[4-(3-isocyanophenyl)phenyl]chrysen-6-yl]phenyl]benzonitrile;4-[4-[12-[4-(4-isocyanophenyl)phenyl]chrysen-6-yl]phenyl]benzonitrile with MolForge

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Related Compounds

3-[4-(6-benzo[c]phenanthren-5-ylnaphthalen-2-yl)phenyl]benzonitrile;4-[3-(6-benzo[c]phenanthren-5-ylnaphthalen-2-yl)phenyl]benzonitrile;4-[4-(6-benzo[c]phenanthren-5-ylnaphthalen-2-yl)phenyl]benzonitrile;5-[6-[2-(4-isocyanophenyl)phenyl]naphthalen-2-yl]benzo[c]phenanthrene;4-(8-phenylbenzo[c]phenanthren-5-yl)benzonitrile
CID 159499972
3-[9-[2-[2-[3,6-bis(3-isocyanophenyl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-6-(3-isocyanophenyl)carbazol-3-yl]benzonitrile;3-[9-[2-[2-[3-(3-cyanophenyl)carbazol-9-yl]phenyl]-4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]benzonitrile;2-[9-[2-[2-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]phenyl]-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-(2-isocyanophenyl)carbazol-3-yl]benzonitrile;2-[9-[4-(4,6-diphenylpyrimidin-2-yl)-2-[2-[3-(2-isocyanophenyl)carbazol-9-yl]phenyl]phenyl]carbazol-3-yl]benzonitrile;4-[9-[2-[5-(4,6-diphenylpyrimidin-2-yl)-2-[3-(4-isocyanophenyl)carbazol-9-yl]phenyl]phenyl]carbazol-3-yl]benzonitrile
CID 159553292
2-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]benzonitrile;3-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]benzonitrile;2-[4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]benzonitrile;3-[4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]benzonitrile;2-[4-[2-(4-isocyanophenyl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[2-[4-(4-isocyanophenyl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 160767645
9-[4-[2-(4-acridin-9-ylphenyl)-6,8-bis(3-phenylphenyl)quinazolin-4-yl]phenyl]acridine;2,4-bis(2-isocyanophenyl)-6,8-bis(3-phenylphenyl)quinazoline;4-[2-(4-cyanophenyl)-6,8-bis(3-phenylphenyl)quinazolin-4-yl]benzonitrile;4-[4-[2-[4-(4-cyanophenyl)phenyl]-6,8-bis(3-phenylphenyl)quinazolin-4-yl]phenyl]benzonitrile;3-[4-(3-isocyanophenyl)-6,8-bis(3-phenylphenyl)quinazolin-2-yl]benzonitrile;2-[4-[4-[4-(2-isocyanophenyl)phenyl]-6,8-bis(3-phenylphenyl)quinazolin-2-yl]phenyl]benzonitrile
CID 160957084
3-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]benzonitrile;4-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]benzonitrile;3-[4-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]benzonitrile;4-[4-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]benzonitrile;2-[4-[5-(2-isocyanophenyl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 162237222
2-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]benzonitrile;3-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]benzonitrile;2-[4-[2-(4-isocyanophenyl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[2-[4-(4-isocyanophenyl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 159635225
4-[12-(4-isocyanophenyl)chrysen-6-yl]benzonitrile
CID 89027091
2-[6,8-bis(4-pyridin-2-ylphenyl)dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine;2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(2-isocyanophenyl)dibenzofuran-2-yl]benzonitrile;3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(3-isocyanophenyl)dibenzofuran-2-yl]benzonitrile;2-(6,8-dipyridin-2-yldibenzofuran-4-yl)-4,6-diphenyl-1,3,5-triazine
CID 160659653
2-[4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;4-[4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;5-[6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]benzene-1,3-dicarbonitrile;3-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]benzonitrile;4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]benzonitrile;3-[4-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]benzonitrile;4-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]benzonitrile;4-[4-[6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]benzonitrile;4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile;2-[4-[4-(2-isocyanophenyl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 163683097
4-(3-cyanophenyl)-2,5-bis[2-(2-cyanophenyl)-7-(2-isocyanophenyl)carbazol-9-yl]benzonitrile
CID 155646695
3-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]benzonitrile;4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]benzonitrile;3-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]-2-isocyanobenzonitrile;2-[4-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]benzonitrile;3-[4-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]benzonitrile;4-[4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]benzonitrile
CID 157323966
2,4-diphenyl-6-[4-(4-pyrimidin-2-ylphenyl)naphthalen-1-yl]-1,3,5-triazine;3-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]benzonitrile;bis(4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]benzonitrile);4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]benzonitrile;2-[4-[4-(2-isocyanophenyl)phenyl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 160525789

Frequently Asked Questions

What is the IUPAC name of 2-[3-[12-[3-(2-cyanophenyl)phenyl]chrysen-6-yl]phenyl]benzonitrile;3-[3,5-di(chrysen-6-yl)phenyl]benzonitrile;2-[4-[12-[4-(2-isocyanophenyl)phenyl]chrysen-6-yl]phenyl]benzonitrile;3-[3-[12-[3-(3-isocyanophenyl)phenyl]chrysen-6-yl]phenyl]benzonitrile;3-[3-[12-[3-(4-isocyanophenyl)phenyl]chrysen-6-yl]phenyl]benzonitrile;3-[4-[12-[4-(3-isocyanophenyl)phenyl]chrysen-6-yl]phenyl]benzonitrile;4-[4-[12-[4-(4-isocyanophenyl)phenyl]chrysen-6-yl]phenyl]benzonitrile?
The IUPAC name of 2-[3-[12-[3-(2-cyanophenyl)phenyl]chrysen-6-yl]phenyl]benzonitrile;3-[3,5-di(chrysen-6-yl)phenyl]benzonitrile;2-[4-[12-[4-(2-isocyanophenyl)phenyl]chrysen-6-yl]phenyl]benzonitrile;3-[3-[12-[3-(3-isocyanophenyl)phenyl]chrysen-6-yl]phenyl]benzonitrile;3-[3-[12-[3-(4-isocyanophenyl)phenyl]chrysen-6-yl]phenyl]benzonitrile;3-[4-[12-[4-(3-isocyanophenyl)phenyl]chrysen-6-yl]phenyl]benzonitrile;4-[4-[12-[4-(4-isocyanophenyl)phenyl]chrysen-6-yl]phenyl]benzonitrile (CID 159263479) is 2-[3-[12-[3-(2-cyanophenyl)phenyl]chrysen-6-yl]phenyl]benzonitrile;3-[3,5-di(chrysen-6-yl)phenyl]benzonitrile;2-[4-[12-[4-(2-isocyanophenyl)phenyl]chrysen-6-yl]phenyl]benzonitrile;3-[3-[12-[3-(3-isocyanophenyl)phenyl]chrysen-6-yl]phenyl]benzonitrile;3-[3-[12-[3-(4-isocyanophenyl)phenyl]chrysen-6-yl]phenyl]benzonitrile;3-[4-[12-[4-(3-isocyanophenyl)phenyl]chrysen-6-yl]phenyl]benzonitrile;4-[4-[12-[4-(4-isocyanophenyl)phenyl]chrysen-6-yl]phenyl]benzonitrile.
What is the SMILES notation for 2-[3-[12-[3-(2-cyanophenyl)phenyl]chrysen-6-yl]phenyl]benzonitrile;3-[3,5-di(chrysen-6-yl)phenyl]benzonitrile;2-[4-[12-[4-(2-isocyanophenyl)phenyl]chrysen-6-yl]phenyl]benzonitrile;3-[3-[12-[3-(3-isocyanophenyl)phenyl]chrysen-6-yl]phenyl]benzonitrile;3-[3-[12-[3-(4-isocyanophenyl)phenyl]chrysen-6-yl]phenyl]benzonitrile;3-[4-[12-[4-(3-isocyanophenyl)phenyl]chrysen-6-yl]phenyl]benzonitrile;4-[4-[12-[4-(4-isocyanophenyl)phenyl]chrysen-6-yl]phenyl]benzonitrile?
The canonical SMILES for 2-[3-[12-[3-(2-cyanophenyl)phenyl]chrysen-6-yl]phenyl]benzonitrile;3-[3,5-di(chrysen-6-yl)phenyl]benzonitrile;2-[4-[12-[4-(2-isocyanophenyl)phenyl]chrysen-6-yl]phenyl]benzonitrile;3-[3-[12-[3-(3-isocyanophenyl)phenyl]chrysen-6-yl]phenyl]benzonitrile;3-[3-[12-[3-(4-isocyanophenyl)phenyl]chrysen-6-yl]phenyl]benzonitrile;3-[4-[12-[4-(3-isocyanophenyl)phenyl]chrysen-6-yl]phenyl]benzonitrile;4-[4-[12-[4-(4-isocyanophenyl)phenyl]chrysen-6-yl]phenyl]benzonitrile is N#Cc1cccc(-c2cc(-c3cc4c5ccccc5ccc4c4ccccc34)cc(-c3cc4c5ccccc5ccc4c4ccccc34)c2)c1.N#Cc1ccccc1-c1cccc(-c2cc3c4ccccc4c(-c4cccc(-c5ccccc5C#N)c4)cc3c3ccccc23)c1.[C-]#[N+]c1ccc(-c2ccc(-c3cc4c5ccccc5c(-c5ccc(-c6ccc(C#N)cc6)cc5)cc4c4ccccc34)cc2)cc1.[C-]#[N+]c1ccc(-c2cccc(-c3cc4c5ccccc5c(-c5cccc(-c6cccc(C#N)c6)c5)cc4c4ccccc34)c2)cc1.[C-]#[N+]c1cccc(-c2ccc(-c3cc4c5ccccc5c(-c5ccc(-c6cccc(C#N)c6)cc5)cc4c4ccccc34)cc2)c1.[C-]#[N+]c1cccc(-c2cccc(-c3cc4c5ccccc5c(-c5cccc(-c6cccc(C#N)c6)c5)cc4c4ccccc34)c2)c1.[C-]#[N+]c1ccccc1-c1ccc(-c2cc3c4ccccc4c(-c4ccc(-c5ccccc5C#N)cc4)cc3c3ccccc23)cc1.
What is the InChIKey of 2-[3-[12-[3-(2-cyanophenyl)phenyl]chrysen-6-yl]phenyl]benzonitrile;3-[3,5-di(chrysen-6-yl)phenyl]benzonitrile;2-[4-[12-[4-(2-isocyanophenyl)phenyl]chrysen-6-yl]phenyl]benzonitrile;3-[3-[12-[3-(3-isocyanophenyl)phenyl]chrysen-6-yl]phenyl]benzonitrile;3-[3-[12-[3-(4-isocyanophenyl)phenyl]chrysen-6-yl]phenyl]benzonitrile;3-[4-[12-[4-(3-isocyanophenyl)phenyl]chrysen-6-yl]phenyl]benzonitrile;4-[4-[12-[4-(4-isocyanophenyl)phenyl]chrysen-6-yl]phenyl]benzonitrile?
The InChIKey is KWUMNJYWOPTMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H29N.6C44H26N2/c50-30-31-10-9-13-34(24-31)35-25-36(46-28-48-38-14-3-1-11-32(38)20-22-44(48)40-16-5-7-18-42(40)46)27-37(26-35)47-29-49-39-15-4-2-12-33(39)21-23-45(49)41-17-6-8-19-43(41)47;1-46-36-17-9-14-33(25-36)32-13-8-16-35(24-32)42-27-44-39-20-4-2-18-37(39)41(26-43(44)40-21-5-3-19-38(40)42)34-15-7-12-31(23-34)30-11-6-10-29(22-30)28-45;1-46-36-21-19-30(20-22-36)32-11-7-13-34(24-32)41-26-43-40-18-5-3-16-38(40)42(27-44(43)39-17-4-2-15-37(39)41)35-14-8-12-33(25-35)31-10-6-9-29(23-31)28-45;1-46-36-11-7-10-35(25-36)31-18-22-33(23-19-31)42-27-44-39-14-4-2-12-37(39)41(26-43(44)40-15-5-3-13-38(40)42)32-20-16-30(17-21-32)34-9-6-8-29(24-34)28-45;1-46-36-24-22-33(23-25-36)32-16-20-35(21-17-32)42-27-44-39-8-4-2-6-37(39)41(26-43(44)40-9-5-3-7-38(40)42)34-18-14-31(15-19-34)30-12-10-29(28-45)11-13-30;1-46-44-17-9-8-12-35(44)30-20-24-32(25-21-30)41-27-43-38-15-6-4-13-36(38)40(26-42(43)39-16-7-5-14-37(39)41)31-22-18-29(19-23-31)34-11-3-2-10-33(34)28-45;45-27-33-11-1-3-17-35(33)29-13-9-15-31(23-29)41-25-43-40-22-8-6-20-38(40)42(26-44(43)39-21-7-5-19-37(39)41)32-16-10-14-30(24-32)36-18-4-2-12-34(36)28-46/h1-29H;5*2-27H;1-26H.
What are the key properties of 2-[3-[12-[3-(2-cyanophenyl)phenyl]chrysen-6-yl]phenyl]benzonitrile;3-[3,5-di(chrysen-6-yl)phenyl]benzonitrile;2-[4-[12-[4-(2-isocyanophenyl)phenyl]chrysen-6-yl]phenyl]benzonitrile;3-[3-[12-[3-(3-isocyanophenyl)phenyl]chrysen-6-yl]phenyl]benzonitrile;3-[3-[12-[3-(4-isocyanophenyl)phenyl]chrysen-6-yl]phenyl]benzonitrile;3-[4-[12-[4-(3-isocyanophenyl)phenyl]chrysen-6-yl]phenyl]benzonitrile;4-[4-[12-[4-(4-isocyanophenyl)phenyl]chrysen-6-yl]phenyl]benzonitrile?
2-[3-[12-[3-(2-cyanophenyl)phenyl]chrysen-6-yl]phenyl]benzonitrile;3-[3,5-di(chrysen-6-yl)phenyl]benzonitrile;2-[4-[12-[4-(2-isocyanophenyl)phenyl]chrysen-6-yl]phenyl]benzonitrile;3-[3-[12-[3-(3-isocyanophenyl)phenyl]chrysen-6-yl]phenyl]benzonitrile;3-[3-[12-[3-(4-isocyanophenyl)phenyl]chrysen-6-yl]phenyl]benzonitrile;3-[4-[12-[4-(3-isocyanophenyl)phenyl]chrysen-6-yl]phenyl]benzonitrile;4-[4-[12-[4-(4-isocyanophenyl)phenyl]chrysen-6-yl]phenyl]benzonitrile has a molecular weight of 4128.01 g/mol, XLogP of 86.22, 27 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[12-[3-(2-cyanophenyl)phenyl]chrysen-6-yl]phenyl]benzonitrile;3-[3,5-di(chrysen-6-yl)phenyl]benzonitrile;2-[4-[12-[4-(2-isocyanophenyl)phenyl]chrysen-6-yl]phenyl]benzonitrile;3-[3-[12-[3-(3-isocyanophenyl)phenyl]chrysen-6-yl]phenyl]benzonitrile;3-[3-[12-[3-(4-isocyanophenyl)phenyl]chrysen-6-yl]phenyl]benzonitrile;3-[4-[12-[4-(3-isocyanophenyl)phenyl]chrysen-6-yl]phenyl]benzonitrile;4-[4-[12-[4-(4-isocyanophenyl)phenyl]chrysen-6-yl]phenyl]benzonitrile is sourced from PubChem (CID 159263479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).