7-[6-(4-chlorophenyl)naphthalen-2-yl]benzo[c]carbazole

C32H20ClN — CID 167038246

IUPAC7-[6-(4-chlorophenyl)naphthalen-2-yl]benzo[c]carbazole
SMILESClc1ccc(-c2ccc3cc(-n4c5ccccc5c5c6ccccc6ccc54)ccc3c2)cc1
InChIInChI=1S/C32H20ClN/c33-26-15-11-21(12-16-26)23-9-10-25-20-27(17-13-24(25)19-23)34-30-8-4-3-7-29(30)32-28-6-2-1-5-22(28)14-18-31(32)34/h1-20H
InChIKeyFENIQVAWRCTEJM-UHFFFAOYSA-N
MW453.97 g/mol
LogP9.41
Rot. Bonds2

About 7-[6-(4-chlorophenyl)naphthalen-2-yl]benzo[c]carbazole

7-[6-(4-chlorophenyl)naphthalen-2-yl]benzo[c]carbazole (PubChem CID 167038246) has the molecular formula C32H20ClN and a molecular weight of 453.97 g/mol. Its IUPAC name is 7-[6-(4-chlorophenyl)naphthalen-2-yl]benzo[c]carbazole.

Molecular Properties

Compound Name7-[6-(4-chlorophenyl)naphthalen-2-yl]benzo[c]carbazole
PubChem CID167038246
Molecular FormulaC32H20ClN
Molecular Weight453.97 g/mol
Exact Mass453.13
IUPAC Name7-[6-(4-chlorophenyl)naphthalen-2-yl]benzo[c]carbazole
SMILESClc1ccc(-c2ccc3cc(-n4c5ccccc5c5c6ccccc6ccc54)ccc3c2)cc1
InChIInChI=1S/C32H20ClN/c33-26-15-11-21(12-16-26)23-9-10-25-20-27(17-13-24(25)19-23)34-30-8-4-3-7-29(30)32-28-6-2-1-5-22(28)14-18-31(32)34/h1-20H
InChIKeyFENIQVAWRCTEJM-UHFFFAOYSA-N
XLogP9.41
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms34
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.97
LogP ≤ 59.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-[6-(4-chlorophenyl)naphthalen-2-yl]benzo[c]carbazole?
The IUPAC name of 7-[6-(4-chlorophenyl)naphthalen-2-yl]benzo[c]carbazole (CID 167038246) is 7-[6-(4-chlorophenyl)naphthalen-2-yl]benzo[c]carbazole.
What is the SMILES notation for 7-[6-(4-chlorophenyl)naphthalen-2-yl]benzo[c]carbazole?
The canonical SMILES for 7-[6-(4-chlorophenyl)naphthalen-2-yl]benzo[c]carbazole is Clc1ccc(-c2ccc3cc(-n4c5ccccc5c5c6ccccc6ccc54)ccc3c2)cc1.
What is the InChIKey of 7-[6-(4-chlorophenyl)naphthalen-2-yl]benzo[c]carbazole?
The InChIKey is FENIQVAWRCTEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H20ClN/c33-26-15-11-21(12-16-26)23-9-10-25-20-27(17-13-24(25)19-23)34-30-8-4-3-7-29(30)32-28-6-2-1-5-22(28)14-18-31(32)34/h1-20H.
What are the key properties of 7-[6-(4-chlorophenyl)naphthalen-2-yl]benzo[c]carbazole?
7-[6-(4-chlorophenyl)naphthalen-2-yl]benzo[c]carbazole has a molecular weight of 453.97 g/mol, XLogP of 9.41, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[6-(4-chlorophenyl)naphthalen-2-yl]benzo[c]carbazole is sourced from PubChem (CID 167038246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).