4-carbazol-9-yl-6-(3,4-dihydrocarbazol-9-yl)-5-phenylbenzene-1,3-dicarbonitrile

C38H24N4 — CID 166727336

IUPAC4-carbazol-9-yl-6-(3,4-dihydrocarbazol-9-yl)-5-phenylbenzene-1,3-dicarbonitrile
SMILESN#Cc1cc(C#N)c(-n2c3ccccc3c3ccccc32)c(-c2ccccc2)c1-n1c2c(c3ccccc31)CCC=C2
InChIInChI=1S/C38H24N4/c39-23-26-22-27(24-40)38(42-34-20-10-6-16-30(34)31-17-7-11-21-35(31)42)36(25-12-2-1-3-13-25)37(26)41-32-18-8-4-14-28(32)29-15-5-9-19-33(29)41/h1-6,8-16,18-22H,7,17H2
InChIKeyUIWOLGARFXKNSQ-UHFFFAOYSA-N
MW536.64 g/mol
LogP9.10
Rot. Bonds3

About 4-carbazol-9-yl-6-(3,4-dihydrocarbazol-9-yl)-5-phenylbenzene-1,3-dicarbonitrile

4-carbazol-9-yl-6-(3,4-dihydrocarbazol-9-yl)-5-phenylbenzene-1,3-dicarbonitrile (PubChem CID 166727336) has the molecular formula C38H24N4 and a molecular weight of 536.64 g/mol. Its IUPAC name is 4-carbazol-9-yl-6-(3,4-dihydrocarbazol-9-yl)-5-phenylbenzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name4-carbazol-9-yl-6-(3,4-dihydrocarbazol-9-yl)-5-phenylbenzene-1,3-dicarbonitrile
PubChem CID166727336
Molecular FormulaC38H24N4
Molecular Weight536.64 g/mol
Exact Mass536.20
IUPAC Name4-carbazol-9-yl-6-(3,4-dihydrocarbazol-9-yl)-5-phenylbenzene-1,3-dicarbonitrile
SMILESN#Cc1cc(C#N)c(-n2c3ccccc3c3ccccc32)c(-c2ccccc2)c1-n1c2c(c3ccccc31)CCC=C2
InChIInChI=1S/C38H24N4/c39-23-26-22-27(24-40)38(42-34-20-10-6-16-30(34)31-17-7-11-21-35(31)42)36(25-12-2-1-3-13-25)37(26)41-32-18-8-4-14-28(32)29-15-5-9-19-33(29)41/h1-6,8-16,18-22H,7,17H2
InChIKeyUIWOLGARFXKNSQ-UHFFFAOYSA-N
XLogP9.10
TPSA57.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.64
LogP ≤ 59.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-2,4-di(carbazol-9-yl)-6-(3,4-dihydrocarbazol-9-yl)-5-phenylbenzonitrile
CID 166727182
2-(3,4-dihydrocarbazol-9-yl)benzene-1,3-dicarbonitrile
CID 118983962
2,5-diphenyl-4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-[3-(9-phenyl-5,6-dihydrocarbazol-3-yl)carbazol-9-yl]benzene-1,3-dicarbonitrile
CID 163897898
4,6-di(carbazol-9-yl)-2-(3,4-dihydrocarbazol-9-yl)benzene-1,3-dicarbonitrile
CID 146580320
5-[2,4,5-tri(carbazol-9-yl)-3-(3,4-dihydrocarbazol-9-yl)phenyl]benzene-1,3-dicarbonitrile
CID 145186417
3,5-bis(3,4-dihydrocarbazol-9-yl)benzonitrile
CID 174292944
9-[4-[3-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-2,4,6-trifluoro-5-phenylphenyl]phenyl]carbazole
CID 142867828
9-[5-carbazol-9-yl-6-(3,4-dihydrocarbazol-9-yl)-4-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]carbazole
CID 142508357
5-[2,4-di(carbazol-9-yl)-6-(1,2-dihydrocarbazol-9-yl)-3,5-diphenylphenyl]benzene-1,3-dicarbonitrile
CID 163927209
2-benzo[a]carbazol-11-yl-4-carbazol-9-yl-5-dibenzofuran-2-yl-6-(3,4-dihydrocarbazol-9-yl)benzene-1,3-dicarbonitrile
CID 146562431
4-(3-tert-butylphenyl)-2-carbazol-9-yl-6-(3,4-dihydrocarbazol-9-yl)-5-(3,6-diphenylcarbazol-9-yl)-3-(3,6-diphenyl-3,4-dihydrocarbazol-9-yl)benzonitrile
CID 166874656
9-[4-[6-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]carbazole
CID 138614706

Frequently Asked Questions

What is the IUPAC name of 4-carbazol-9-yl-6-(3,4-dihydrocarbazol-9-yl)-5-phenylbenzene-1,3-dicarbonitrile?
The IUPAC name of 4-carbazol-9-yl-6-(3,4-dihydrocarbazol-9-yl)-5-phenylbenzene-1,3-dicarbonitrile (CID 166727336) is 4-carbazol-9-yl-6-(3,4-dihydrocarbazol-9-yl)-5-phenylbenzene-1,3-dicarbonitrile.
What is the SMILES notation for 4-carbazol-9-yl-6-(3,4-dihydrocarbazol-9-yl)-5-phenylbenzene-1,3-dicarbonitrile?
The canonical SMILES for 4-carbazol-9-yl-6-(3,4-dihydrocarbazol-9-yl)-5-phenylbenzene-1,3-dicarbonitrile is N#Cc1cc(C#N)c(-n2c3ccccc3c3ccccc32)c(-c2ccccc2)c1-n1c2c(c3ccccc31)CCC=C2.
What is the InChIKey of 4-carbazol-9-yl-6-(3,4-dihydrocarbazol-9-yl)-5-phenylbenzene-1,3-dicarbonitrile?
The InChIKey is UIWOLGARFXKNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24N4/c39-23-26-22-27(24-40)38(42-34-20-10-6-16-30(34)31-17-7-11-21-35(31)42)36(25-12-2-1-3-13-25)37(26)41-32-18-8-4-14-28(32)29-15-5-9-19-33(29)41/h1-6,8-16,18-22H,7,17H2.
What are the key properties of 4-carbazol-9-yl-6-(3,4-dihydrocarbazol-9-yl)-5-phenylbenzene-1,3-dicarbonitrile?
4-carbazol-9-yl-6-(3,4-dihydrocarbazol-9-yl)-5-phenylbenzene-1,3-dicarbonitrile has a molecular weight of 536.64 g/mol, XLogP of 9.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbazol-9-yl-6-(3,4-dihydrocarbazol-9-yl)-5-phenylbenzene-1,3-dicarbonitrile is sourced from PubChem (CID 166727336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).