4-[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzene-1,2-dicarbonitrile

C41H23N7 — CID 146573167

IUPAC4-[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzene-1,2-dicarbonitrile
SMILESN#Cc1ccc(-n2c3ccccc3c3cc(-c4nc(-c5ccccc5)nc(-n5c6ccccc6c6ccccc65)n4)ccc32)cc1C#N
InChIInChI=1S/C41H23N7/c42-24-28-18-20-30(22-29(28)25-43)47-35-15-7-6-14-33(35)34-23-27(19-21-38(34)47)40-44-39(26-10-2-1-3-11-26)45-41(46-40)48-36-16-8-4-12-31(36)32-13-5-9-17-37(32)48/h1-23H
InChIKeyVDNNPJVULWQLLS-UHFFFAOYSA-N
MW613.68 g/mol
LogP9.14
Rot. Bonds4

About 4-[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzene-1,2-dicarbonitrile

4-[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzene-1,2-dicarbonitrile (PubChem CID 146573167) has the molecular formula C41H23N7 and a molecular weight of 613.68 g/mol. Its IUPAC name is 4-[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzene-1,2-dicarbonitrile.

Molecular Properties

Compound Name4-[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzene-1,2-dicarbonitrile
PubChem CID146573167
Molecular FormulaC41H23N7
Molecular Weight613.68 g/mol
Exact Mass613.20
IUPAC Name4-[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzene-1,2-dicarbonitrile
SMILESN#Cc1ccc(-n2c3ccccc3c3cc(-c4nc(-c5ccccc5)nc(-n5c6ccccc6c6ccccc65)n4)ccc32)cc1C#N
InChIInChI=1S/C41H23N7/c42-24-28-18-20-30(22-29(28)25-43)47-35-15-7-6-14-33(35)34-23-27(19-21-38(34)47)40-44-39(26-10-2-1-3-11-26)45-41(46-40)48-36-16-8-4-12-31(36)32-13-5-9-17-37(32)48/h1-23H
InChIKeyVDNNPJVULWQLLS-UHFFFAOYSA-N
XLogP9.14
TPSA96.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.68
LogP ≤ 59.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-carbazol-9-yl-9-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 146572883
3-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 146573156
4-[3-[9-(3,4-dicyanophenyl)carbazol-3-yl]carbazol-9-yl]benzene-1,2-dicarbonitrile
CID 121354175
9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3,6-bis(3-phenylcarbazol-9-yl)carbazole
CID 58556490
3-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 146573165
5-(3-carbazol-9-ylcarbazol-9-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 134476292
3,6-di(carbazol-9-yl)-9-[6-(3,5-diphenylphenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]carbazole
CID 88878795
5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]benzonitrile
CID 138579613
3-carbazol-9-yl-9-[4-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 153459439
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-(4-phenylphenyl)carbazole
CID 70934602
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,6-bis[9-(4-methylphenyl)carbazol-3-yl]carbazole
CID 58556534
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 162483719

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzene-1,2-dicarbonitrile?
The IUPAC name of 4-[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzene-1,2-dicarbonitrile (CID 146573167) is 4-[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzene-1,2-dicarbonitrile.
What is the SMILES notation for 4-[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzene-1,2-dicarbonitrile?
The canonical SMILES for 4-[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzene-1,2-dicarbonitrile is N#Cc1ccc(-n2c3ccccc3c3cc(-c4nc(-c5ccccc5)nc(-n5c6ccccc6c6ccccc65)n4)ccc32)cc1C#N.
What is the InChIKey of 4-[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzene-1,2-dicarbonitrile?
The InChIKey is VDNNPJVULWQLLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H23N7/c42-24-28-18-20-30(22-29(28)25-43)47-35-15-7-6-14-33(35)34-23-27(19-21-38(34)47)40-44-39(26-10-2-1-3-11-26)45-41(46-40)48-36-16-8-4-12-31(36)32-13-5-9-17-37(32)48/h1-23H.
What are the key properties of 4-[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzene-1,2-dicarbonitrile?
4-[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzene-1,2-dicarbonitrile has a molecular weight of 613.68 g/mol, XLogP of 9.14, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzene-1,2-dicarbonitrile is sourced from PubChem (CID 146573167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).