Methyl 6H-benzo[a]carbazole-3-carboxylate

Name: Methyl 6H-benzo[a]carbazole-3-carboxylate — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₈H₁₃NO₂ — CID 154059029

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

IUPACmethyl 6H-benzo[a]carbazole-3-carboxylate

SMILESCOC(=O)c1ccc2c(c1)=CCC1=c3ccccc3=NC=21

InChIInChI=1S/C18H13NO2/c1-21-18(20)12-7-8-13-11(10-12)6-9-15-14-4-2-3-5-16(14)19-17(13)15/h2-8,10H,9H2,1H3

InChIKeyYUNDHVQWOKWHJW-UHFFFAOYSA-N

MW275.31 g/mol

LogP0.25

Rot. Bonds1

About Methyl 6H-benzo[a]carbazole-3-carboxylate

Methyl 6H-benzo[a]carbazole-3-carboxylate (PubChem CID 154059029) has the molecular formula C₁₈H₁₃NO₂ and a molecular weight of 275.31 g/mol. Its IUPAC name is methyl 6H-benzo[a]carbazole-3-carboxylate.

Molecular Properties

Compound Name	Methyl 6H-benzo[a]carbazole-3-carboxylate
PubChem CID	154059029
Molecular Formula	C₁₈H₁₃NO₂
Molecular Weight	275.31 g/mol
Exact Mass	275.09
IUPAC Name	methyl 6H-benzo[a]carbazole-3-carboxylate
SMILES	COC(=O)c1ccc2c(c1)=CCC1=c3ccccc3=NC=21
InChI	InChI=1S/C18H13NO2/c1-21-18(20)12-7-8-13-11(10-12)6-9-15-14-4-2-3-5-16(14)19-17(13)15/h2-8,10H,9H2,1H3
InChIKey	YUNDHVQWOKWHJW-UHFFFAOYSA-N
XLogP	0.25
TPSA	38.66 Å²
H-Bond Donors
H-Bond Acceptors	3
Rotatable Bonds	1
Heavy Atoms	21
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	275.31
LogP ≤ 5	0.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of Methyl 6H-benzo[a]carbazole-3-carboxylate?

The IUPAC name of Methyl 6H-benzo[a]carbazole-3-carboxylate (CID 154059029) is methyl 6H-benzo[a]carbazole-3-carboxylate.

What is the SMILES notation for Methyl 6H-benzo[a]carbazole-3-carboxylate?

The canonical SMILES for Methyl 6H-benzo[a]carbazole-3-carboxylate is COC(=O)c1ccc2c(c1)=CCC1=c3ccccc3=NC=21.

What is the InChIKey of Methyl 6H-benzo[a]carbazole-3-carboxylate?

The InChIKey is YUNDHVQWOKWHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO2/c1-21-18(20)12-7-8-13-11(10-12)6-9-15-14-4-2-3-5-16(14)19-17(13)15/h2-8,10H,9H2,1H3.

What are the key properties of Methyl 6H-benzo[a]carbazole-3-carboxylate?

Methyl 6H-benzo[a]carbazole-3-carboxylate has a molecular weight of 275.31 g/mol, XLogP of 0.25, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Methyl 6H-benzo[a]carbazole-3-carboxylate is sourced from PubChem (CID 154059029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 154059029 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.