9-(9-methylcarbazol-2-yl)-4a,9a-dihydrocarbazole-2,7-dicarbonitrile

C27H18N4 — CID 146280520

IUPAC9-(9-methylcarbazol-2-yl)-4a,9a-dihydrocarbazole-2,7-dicarbonitrile
SMILESCn1c2ccccc2c2ccc(N3c4cc(C#N)ccc4C4C=CC(C#N)=CC43)cc21
InChIInChI=1S/C27H18N4/c1-30-24-5-3-2-4-20(24)21-11-8-19(14-25(21)30)31-26-12-17(15-28)6-9-22(26)23-10-7-18(16-29)13-27(23)31/h2-14,22,26H,1H3
InChIKeySMVDLIMPHVWGIN-UHFFFAOYSA-N
MW398.47 g/mol
LogP5.83
Rot. Bonds1

About 9-(9-methylcarbazol-2-yl)-4a,9a-dihydrocarbazole-2,7-dicarbonitrile

9-(9-methylcarbazol-2-yl)-4a,9a-dihydrocarbazole-2,7-dicarbonitrile (PubChem CID 146280520) has the molecular formula C27H18N4 and a molecular weight of 398.47 g/mol. Its IUPAC name is 9-(9-methylcarbazol-2-yl)-4a,9a-dihydrocarbazole-2,7-dicarbonitrile.

Molecular Properties

Compound Name9-(9-methylcarbazol-2-yl)-4a,9a-dihydrocarbazole-2,7-dicarbonitrile
PubChem CID146280520
Molecular FormulaC27H18N4
Molecular Weight398.47 g/mol
Exact Mass398.15
IUPAC Name9-(9-methylcarbazol-2-yl)-4a,9a-dihydrocarbazole-2,7-dicarbonitrile
SMILESCn1c2ccccc2c2ccc(N3c4cc(C#N)ccc4C4C=CC(C#N)=CC43)cc21
InChIInChI=1S/C27H18N4/c1-30-24-5-3-2-4-20(24)21-11-8-19(14-25(21)30)31-26-12-17(15-28)6-9-22(26)23-10-7-18(16-29)13-27(23)31/h2-14,22,26H,1H3
InChIKeySMVDLIMPHVWGIN-UHFFFAOYSA-N
XLogP5.83
TPSA55.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.47
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-[(7-methyl-9-phenylcarbazol-2-yl)-phenylphosphanyl]-9-phenyl-4a,9a-dihydrocarbazole-2-carbonitrile
CID 135128590
8-(3-cyano-4a,9a-dihydrocarbazol-9-yl)-9-(4-cyanophenyl)carbazole-3-carbonitrile
CID 146518088
2-carbazol-9-yl-6-[2-(6-carbazol-9-yl-4-cyanocyclohexa-2,4-dien-1-yl)phenyl]benzonitrile
CID 167280140
9-(9-methylcarbazol-3-yl)carbazole-1,6-dicarbonitrile
CID 122501086
4-(3-cyanophenyl)-3,5-bis(5-methylindolo[3,2-c]carbazol-12-yl)benzonitrile
CID 142465728
3-[6-[9-(3-cyanophenyl)carbazol-3-yl]-4a,9a-dihydrocarbazol-9-yl]benzonitrile
CID 170189437
4-[2-(10-methyl-9-oxoacridin-3-yl)ethynyl]benzonitrile
CID 25011614
7-carbazol-9-yl-9-[2-(4-carbazol-9-ylphenyl)-5-cyanophenyl]carbazole-3-carbonitrile
CID 154958797
9-[2-[3-[3-(4a,9a-dihydrocarbazol-9-yl)phenyl]-2-cyanophenyl]-6-cyanophenyl]carbazole-3-carbonitrile
CID 167281071
(4bR)-9-[2-(7-cyanodibenzothiophen-3-yl)phenyl]-4b,8a-dihydrocarbazole-2-carbonitrile
CID 167149506
7-methoxy-9-methylcarbazole-2-carbonitrile
CID 10847401
4-[3,6-di(carbazol-9-yl)carbazol-9-yl]benzonitrile
CID 59399298

Frequently Asked Questions

What is the IUPAC name of 9-(9-methylcarbazol-2-yl)-4a,9a-dihydrocarbazole-2,7-dicarbonitrile?
The IUPAC name of 9-(9-methylcarbazol-2-yl)-4a,9a-dihydrocarbazole-2,7-dicarbonitrile (CID 146280520) is 9-(9-methylcarbazol-2-yl)-4a,9a-dihydrocarbazole-2,7-dicarbonitrile.
What is the SMILES notation for 9-(9-methylcarbazol-2-yl)-4a,9a-dihydrocarbazole-2,7-dicarbonitrile?
The canonical SMILES for 9-(9-methylcarbazol-2-yl)-4a,9a-dihydrocarbazole-2,7-dicarbonitrile is Cn1c2ccccc2c2ccc(N3c4cc(C#N)ccc4C4C=CC(C#N)=CC43)cc21.
What is the InChIKey of 9-(9-methylcarbazol-2-yl)-4a,9a-dihydrocarbazole-2,7-dicarbonitrile?
The InChIKey is SMVDLIMPHVWGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18N4/c1-30-24-5-3-2-4-20(24)21-11-8-19(14-25(21)30)31-26-12-17(15-28)6-9-22(26)23-10-7-18(16-29)13-27(23)31/h2-14,22,26H,1H3.
What are the key properties of 9-(9-methylcarbazol-2-yl)-4a,9a-dihydrocarbazole-2,7-dicarbonitrile?
9-(9-methylcarbazol-2-yl)-4a,9a-dihydrocarbazole-2,7-dicarbonitrile has a molecular weight of 398.47 g/mol, XLogP of 5.83, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(9-methylcarbazol-2-yl)-4a,9a-dihydrocarbazole-2,7-dicarbonitrile is sourced from PubChem (CID 146280520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).