5,11-dimethyl-6-(1-methylindol-3-yl)benzo[b]carbazole

C27H22N2 — CID 155937300

IUPAC5,11-dimethyl-6-(1-methylindol-3-yl)benzo[b]carbazole
SMILESCc1c2ccccc2c(-c2cn(C)c3ccccc23)c2c1c1ccccc1n2C
InChIInChI=1S/C27H22N2/c1-17-18-10-4-5-12-20(18)26(22-16-28(2)23-14-8-6-11-19(22)23)27-25(17)21-13-7-9-15-24(21)29(27)3/h4-16H,1-3H3
InChIKeyDILVANUCIANYBE-UHFFFAOYSA-N
MW374.49 g/mol
LogP6.95
Rot. Bonds1

About 5,11-dimethyl-6-(1-methylindol-3-yl)benzo[b]carbazole

5,11-dimethyl-6-(1-methylindol-3-yl)benzo[b]carbazole (PubChem CID 155937300) has the molecular formula C27H22N2 and a molecular weight of 374.49 g/mol. Its IUPAC name is 5,11-dimethyl-6-(1-methylindol-3-yl)benzo[b]carbazole.

Molecular Properties

Compound Name5,11-dimethyl-6-(1-methylindol-3-yl)benzo[b]carbazole
PubChem CID155937300
Molecular FormulaC27H22N2
Molecular Weight374.49 g/mol
Exact Mass374.18
IUPAC Name5,11-dimethyl-6-(1-methylindol-3-yl)benzo[b]carbazole
SMILESCc1c2ccccc2c(-c2cn(C)c3ccccc23)c2c1c1ccccc1n2C
InChIInChI=1S/C27H22N2/c1-17-18-10-4-5-12-20(18)26(22-16-28(2)23-14-8-6-11-19(22)23)27-25(17)21-13-7-9-15-24(21)29(27)3/h4-16H,1-3H3
InChIKeyDILVANUCIANYBE-UHFFFAOYSA-N
XLogP6.95
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.49
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,11-dimethyl-6-(1-methylindol-3-yl)benzo[b]carbazole?
The IUPAC name of 5,11-dimethyl-6-(1-methylindol-3-yl)benzo[b]carbazole (CID 155937300) is 5,11-dimethyl-6-(1-methylindol-3-yl)benzo[b]carbazole.
What is the SMILES notation for 5,11-dimethyl-6-(1-methylindol-3-yl)benzo[b]carbazole?
The canonical SMILES for 5,11-dimethyl-6-(1-methylindol-3-yl)benzo[b]carbazole is Cc1c2ccccc2c(-c2cn(C)c3ccccc23)c2c1c1ccccc1n2C.
What is the InChIKey of 5,11-dimethyl-6-(1-methylindol-3-yl)benzo[b]carbazole?
The InChIKey is DILVANUCIANYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N2/c1-17-18-10-4-5-12-20(18)26(22-16-28(2)23-14-8-6-11-19(22)23)27-25(17)21-13-7-9-15-24(21)29(27)3/h4-16H,1-3H3.
What are the key properties of 5,11-dimethyl-6-(1-methylindol-3-yl)benzo[b]carbazole?
5,11-dimethyl-6-(1-methylindol-3-yl)benzo[b]carbazole has a molecular weight of 374.49 g/mol, XLogP of 6.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,11-dimethyl-6-(1-methylindol-3-yl)benzo[b]carbazole is sourced from PubChem (CID 155937300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).