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

Name: 9-(9-methylcarbazol-2-yl)-4a,9a-dihydrocarbazole-2,7-dicarbonitrile — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₇H₁₈N₄ — CID 146280520

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 Name	9-(9-methylcarbazol-2-yl)-4a,9a-dihydrocarbazole-2,7-dicarbonitrile
PubChem CID	146280520
Molecular Formula	C₂₇H₁₈N₄
Molecular Weight	398.47 g/mol
Exact Mass	398.15
IUPAC Name	9-(9-methylcarbazol-2-yl)-4a,9a-dihydrocarbazole-2,7-dicarbonitrile
SMILES	Cn1c2ccccc2c2ccc(N3c4cc(C#N)ccc4C4C=CC(C#N)=CC43)cc21
InChI	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
InChIKey	SMVDLIMPHVWGIN-UHFFFAOYSA-N
XLogP	5.83
TPSA	55.75 Å²
H-Bond Donors
H-Bond Acceptors	4
Rotatable Bonds	1
Heavy Atoms	31
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	398.47
LogP ≤ 5	5.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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).

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Sources

PubChem CID 146280520 — identifiers, structure, computed properties (public domain)

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