4-[4-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-[(3Z,5Z)-9-carbazol-9-yl-7-methylidene-2H-1-benzazonin-1-yl]-1,3,5-triazin-2-yl]phenyl]benzonitrile

C65H42N8 — CID 121420350

IUPAC4-[4-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-[(3Z,5Z)-9-carbazol-9-yl-7-methylidene-2H-1-benzazonin-1-yl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
SMILESC=C1/C=C\C=C/CN(c2nc(-c3ccc(-c4ccc(C#N)cc4)cc3)nc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)n2)c2ccc(-n3c4ccccc4c4ccccc43)cc21
InChIInChI=1S/C65H42N8/c1-42-15-3-2-14-38-70(56-36-34-47(39-54(42)56)71-57-21-9-4-16-49(57)50-17-5-10-22-58(50)71)64-67-63(46-32-30-45(31-33-46)44-28-26-43(41-66)27-29-44)68-65(69-64)73-61-25-13-8-20-53(61)55-40-48(35-37-62(55)73)72-59-23-11-6-18-51(59)52-19-7-12-24-60(52)72/h2-37,39-40H,1,38H2/b14-2-,15-3-
InChIKeyCMZZIFAYMBTDCW-QWEOIJRZSA-N
MW935.11 g/mol
LogP15.65
Rot. Bonds6

About 4-[4-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-[(3Z,5Z)-9-carbazol-9-yl-7-methylidene-2H-1-benzazonin-1-yl]-1,3,5-triazin-2-yl]phenyl]benzonitrile

4-[4-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-[(3Z,5Z)-9-carbazol-9-yl-7-methylidene-2H-1-benzazonin-1-yl]-1,3,5-triazin-2-yl]phenyl]benzonitrile (PubChem CID 121420350) has the molecular formula C65H42N8 and a molecular weight of 935.11 g/mol. Its IUPAC name is 4-[4-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-[(3Z,5Z)-9-carbazol-9-yl-7-methylidene-2H-1-benzazonin-1-yl]-1,3,5-triazin-2-yl]phenyl]benzonitrile.

Molecular Properties

Compound Name4-[4-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-[(3Z,5Z)-9-carbazol-9-yl-7-methylidene-2H-1-benzazonin-1-yl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
PubChem CID121420350
Molecular FormulaC65H42N8
Molecular Weight935.11 g/mol
Exact Mass934.35
IUPAC Name4-[4-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-[(3Z,5Z)-9-carbazol-9-yl-7-methylidene-2H-1-benzazonin-1-yl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
SMILESC=C1/C=C\C=C/CN(c2nc(-c3ccc(-c4ccc(C#N)cc4)cc3)nc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)n2)c2ccc(-n3c4ccccc4c4ccccc43)cc21
InChIInChI=1S/C65H42N8/c1-42-15-3-2-14-38-70(56-36-34-47(39-54(42)56)71-57-21-9-4-16-49(57)50-17-5-10-22-58(50)71)64-67-63(46-32-30-45(31-33-46)44-28-26-43(41-66)27-29-44)68-65(69-64)73-61-25-13-8-20-53(61)55-40-48(35-37-62(55)73)72-59-23-11-6-18-51(59)52-19-7-12-24-60(52)72/h2-37,39-40H,1,38H2/b14-2-,15-3-
InChIKeyCMZZIFAYMBTDCW-QWEOIJRZSA-N
XLogP15.65
TPSA80.49 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500935.11
LogP ≤ 515.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[4-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-[(3Z,5Z)-9-carbazol-9-yl-7-methylidene-2H-1-benzazonin-1-yl]-1,3,5-triazin-2-yl]phenyl]benzonitrile with MolForge

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Related Compounds

3-[(3Z,5Z)-1-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-7-methylidene-2H-1-benzazonin-10-yl]-9-naphthalen-2-ylcarbazole
CID 118220695
3-[(3Z,5Z)-1-(4-dibenzofuran-4-ylphenyl)-7-methylidene-2H-1-benzazonin-9-yl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 121419598
4-[6-[4-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]-2-(4-cyanophenyl)pyrimidin-4-yl]benzonitrile
CID 126730531
7-tert-butyl-2-[(3Z,5Z)-7-methylidene-9-(9-phenylcarbazol-2-yl)-2H-1-benzazonin-1-yl]quinazoline-4-carbonitrile
CID 121342273
4-[4,6-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]benzonitrile
CID 118259280
3-(3-carbazol-9-ylcarbazol-9-yl)-4-[2-(3-carbazol-9-ylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile
CID 142533865
9-[3-methyl-4-[2-methyl-4-[(3Z,5Z)-7-methylidene-9-pyridin-4-yl-2H-1-benzazonin-1-yl]phenyl]phenyl]-3-pyridin-4-ylcarbazole
CID 122518938
5-[2,6-bis(4-cyanophenyl)pyrimidin-4-yl]-2-(3-carbazol-9-ylcarbazol-9-yl)benzonitrile
CID 126734778
4-[3-[5-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]benzonitrile
CID 139496096
3-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 134476143
4-[4-(3-carbazol-9-ylcarbazol-9-yl)-3-[3-(3-carbazol-9-ylcarbazol-9-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile
CID 139496184
2-[4-[2,6-bis(4-cyanophenyl)pyrimidin-4-yl]phenyl]-5-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]benzonitrile
CID 126730086

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-[(3Z,5Z)-9-carbazol-9-yl-7-methylidene-2H-1-benzazonin-1-yl]-1,3,5-triazin-2-yl]phenyl]benzonitrile?
The IUPAC name of 4-[4-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-[(3Z,5Z)-9-carbazol-9-yl-7-methylidene-2H-1-benzazonin-1-yl]-1,3,5-triazin-2-yl]phenyl]benzonitrile (CID 121420350) is 4-[4-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-[(3Z,5Z)-9-carbazol-9-yl-7-methylidene-2H-1-benzazonin-1-yl]-1,3,5-triazin-2-yl]phenyl]benzonitrile.
What is the SMILES notation for 4-[4-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-[(3Z,5Z)-9-carbazol-9-yl-7-methylidene-2H-1-benzazonin-1-yl]-1,3,5-triazin-2-yl]phenyl]benzonitrile?
The canonical SMILES for 4-[4-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-[(3Z,5Z)-9-carbazol-9-yl-7-methylidene-2H-1-benzazonin-1-yl]-1,3,5-triazin-2-yl]phenyl]benzonitrile is C=C1/C=C\C=C/CN(c2nc(-c3ccc(-c4ccc(C#N)cc4)cc3)nc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)n2)c2ccc(-n3c4ccccc4c4ccccc43)cc21.
What is the InChIKey of 4-[4-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-[(3Z,5Z)-9-carbazol-9-yl-7-methylidene-2H-1-benzazonin-1-yl]-1,3,5-triazin-2-yl]phenyl]benzonitrile?
The InChIKey is CMZZIFAYMBTDCW-QWEOIJRZSA-N. The full InChI is InChI=1S/C65H42N8/c1-42-15-3-2-14-38-70(56-36-34-47(39-54(42)56)71-57-21-9-4-16-49(57)50-17-5-10-22-58(50)71)64-67-63(46-32-30-45(31-33-46)44-28-26-43(41-66)27-29-44)68-65(69-64)73-61-25-13-8-20-53(61)55-40-48(35-37-62(55)73)72-59-23-11-6-18-51(59)52-19-7-12-24-60(52)72/h2-37,39-40H,1,38H2/b14-2-,15-3-.
What are the key properties of 4-[4-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-[(3Z,5Z)-9-carbazol-9-yl-7-methylidene-2H-1-benzazonin-1-yl]-1,3,5-triazin-2-yl]phenyl]benzonitrile?
4-[4-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-[(3Z,5Z)-9-carbazol-9-yl-7-methylidene-2H-1-benzazonin-1-yl]-1,3,5-triazin-2-yl]phenyl]benzonitrile has a molecular weight of 935.11 g/mol, XLogP of 15.65, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-[(3Z,5Z)-9-carbazol-9-yl-7-methylidene-2H-1-benzazonin-1-yl]-1,3,5-triazin-2-yl]phenyl]benzonitrile is sourced from PubChem (CID 121420350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).