3-methoxy-5,6-diphenyl-10H-benzo[a]carbazole

C29H21NO — CID 132567623

IUPAC3-methoxy-5,6-diphenyl-10H-benzo[a]carbazole
SMILESCOc1ccc2c3c(c(-c4ccccc4)c(-c4ccccc4)c2c1)C1=CC=CCC1=N3
InChIInChI=1S/C29H21NO/c1-31-21-16-17-22-24(18-21)26(19-10-4-2-5-11-19)27(20-12-6-3-7-13-20)28-23-14-8-9-15-25(23)30-29(22)28/h2-14,16-18H,15H2,1H3
InChIKeyINVWEZOLWONCRN-UHFFFAOYSA-N
MW399.49 g/mol
LogP7.61
Rot. Bonds3

About 3-methoxy-5,6-diphenyl-10H-benzo[a]carbazole

3-methoxy-5,6-diphenyl-10H-benzo[a]carbazole (PubChem CID 132567623) has the molecular formula C29H21NO and a molecular weight of 399.49 g/mol. Its IUPAC name is 3-methoxy-5,6-diphenyl-10H-benzo[a]carbazole.

Molecular Properties

Compound Name3-methoxy-5,6-diphenyl-10H-benzo[a]carbazole
PubChem CID132567623
Molecular FormulaC29H21NO
Molecular Weight399.49 g/mol
Exact Mass399.16
IUPAC Name3-methoxy-5,6-diphenyl-10H-benzo[a]carbazole
SMILESCOc1ccc2c3c(c(-c4ccccc4)c(-c4ccccc4)c2c1)C1=CC=CCC1=N3
InChIInChI=1S/C29H21NO/c1-31-21-16-17-22-24(18-21)26(19-10-4-2-5-11-19)27(20-12-6-3-7-13-20)28-23-14-8-9-15-25(23)30-29(22)28/h2-14,16-18H,15H2,1H3
InChIKeyINVWEZOLWONCRN-UHFFFAOYSA-N
XLogP7.61
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.49
LogP ≤ 57.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5,6-diphenyl-10H-benzo[a]carbazole?
The IUPAC name of 3-methoxy-5,6-diphenyl-10H-benzo[a]carbazole (CID 132567623) is 3-methoxy-5,6-diphenyl-10H-benzo[a]carbazole.
What is the SMILES notation for 3-methoxy-5,6-diphenyl-10H-benzo[a]carbazole?
The canonical SMILES for 3-methoxy-5,6-diphenyl-10H-benzo[a]carbazole is COc1ccc2c3c(c(-c4ccccc4)c(-c4ccccc4)c2c1)C1=CC=CCC1=N3.
What is the InChIKey of 3-methoxy-5,6-diphenyl-10H-benzo[a]carbazole?
The InChIKey is INVWEZOLWONCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21NO/c1-31-21-16-17-22-24(18-21)26(19-10-4-2-5-11-19)27(20-12-6-3-7-13-20)28-23-14-8-9-15-25(23)30-29(22)28/h2-14,16-18H,15H2,1H3.
What are the key properties of 3-methoxy-5,6-diphenyl-10H-benzo[a]carbazole?
3-methoxy-5,6-diphenyl-10H-benzo[a]carbazole has a molecular weight of 399.49 g/mol, XLogP of 7.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5,6-diphenyl-10H-benzo[a]carbazole is sourced from PubChem (CID 132567623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).