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8-(3-cyano-4a,9a-dihydrocarbazol-9-yl)-9-(4-cyanophenyl)carbazole-3-carbonitrile

C33H19N5 — CID 146518088

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC8-(3-cyano-4a,9a-dihydrocarbazol-9-yl)-9-(4-cyanophenyl)carbazole-3-carbonitrile
SMILESN#CC1=CC2c3ccccc3N(c3cccc4c5cc(C#N)ccc5n(-c5ccc(C#N)cc5)c34)C2C=C1
InChIInChI=1S/C33H19N5/c34-18-21-8-12-24(13-9-21)37-30-14-10-23(20-36)17-28(30)26-5-3-7-32(33(26)37)38-29-6-2-1-4-25(29)27-16-22(19-35)11-15-31(27)38/h1-17,27,31H
InChIKeyPGQCVVRJMKONRD-UHFFFAOYSA-N
MW485.55 g/mol
LogP7.15
Rot. Bonds2

About 8-(3-cyano-4a,9a-dihydrocarbazol-9-yl)-9-(4-cyanophenyl)carbazole-3-carbonitrile

8-(3-cyano-4a,9a-dihydrocarbazol-9-yl)-9-(4-cyanophenyl)carbazole-3-carbonitrile (PubChem CID 146518088) has the molecular formula C33H19N5 and a molecular weight of 485.55 g/mol. Its IUPAC name is 8-(3-cyano-4a,9a-dihydrocarbazol-9-yl)-9-(4-cyanophenyl)carbazole-3-carbonitrile.

Molecular Properties

Compound Name8-(3-cyano-4a,9a-dihydrocarbazol-9-yl)-9-(4-cyanophenyl)carbazole-3-carbonitrile
PubChem CID146518088
Molecular FormulaC33H19N5
Molecular Weight485.55 g/mol
Exact Mass485.16
IUPAC Name8-(3-cyano-4a,9a-dihydrocarbazol-9-yl)-9-(4-cyanophenyl)carbazole-3-carbonitrile
SMILESN#CC1=CC2c3ccccc3N(c3cccc4c5cc(C#N)ccc5n(-c5ccc(C#N)cc5)c34)C2C=C1
InChIInChI=1S/C33H19N5/c34-18-21-8-12-24(13-9-21)37-30-14-10-23(20-36)17-28(30)26-5-3-7-32(33(26)37)38-29-6-2-1-4-25(29)27-16-22(19-35)11-15-31(27)38/h1-17,27,31H
InChIKeyPGQCVVRJMKONRD-UHFFFAOYSA-N
XLogP7.15
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.55
LogP ≤ 57.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(3-cyano-4a,9a-dihydrocarbazol-9-yl)-9-(4-cyanophenyl)carbazole-3-carbonitrile?
The IUPAC name of 8-(3-cyano-4a,9a-dihydrocarbazol-9-yl)-9-(4-cyanophenyl)carbazole-3-carbonitrile (CID 146518088) is 8-(3-cyano-4a,9a-dihydrocarbazol-9-yl)-9-(4-cyanophenyl)carbazole-3-carbonitrile.
What is the SMILES notation for 8-(3-cyano-4a,9a-dihydrocarbazol-9-yl)-9-(4-cyanophenyl)carbazole-3-carbonitrile?
The canonical SMILES for 8-(3-cyano-4a,9a-dihydrocarbazol-9-yl)-9-(4-cyanophenyl)carbazole-3-carbonitrile is N#CC1=CC2c3ccccc3N(c3cccc4c5cc(C#N)ccc5n(-c5ccc(C#N)cc5)c34)C2C=C1.
What is the InChIKey of 8-(3-cyano-4a,9a-dihydrocarbazol-9-yl)-9-(4-cyanophenyl)carbazole-3-carbonitrile?
The InChIKey is PGQCVVRJMKONRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H19N5/c34-18-21-8-12-24(13-9-21)37-30-14-10-23(20-36)17-28(30)26-5-3-7-32(33(26)37)38-29-6-2-1-4-25(29)27-16-22(19-35)11-15-31(27)38/h1-17,27,31H.
What are the key properties of 8-(3-cyano-4a,9a-dihydrocarbazol-9-yl)-9-(4-cyanophenyl)carbazole-3-carbonitrile?
8-(3-cyano-4a,9a-dihydrocarbazol-9-yl)-9-(4-cyanophenyl)carbazole-3-carbonitrile has a molecular weight of 485.55 g/mol, XLogP of 7.15, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-cyano-4a,9a-dihydrocarbazol-9-yl)-9-(4-cyanophenyl)carbazole-3-carbonitrile is sourced from PubChem (CID 146518088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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