11-(9-phenylcarbazol-2-yl)-7H-benzo[c]carbazole

C34H22N2 — CID 155114077

IUPAC11-(9-phenylcarbazol-2-yl)-7H-benzo[c]carbazole
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4cccc5[nH]c6ccc7ccccc7c6c45)cc32)cc1
InChIInChI=1S/C34H22N2/c1-2-10-24(11-3-1)36-31-16-7-6-13-27(31)28-19-17-23(21-32(28)36)26-14-8-15-29-34(26)33-25-12-5-4-9-22(25)18-20-30(33)35-29/h1-21,35H
InChIKeyZIQWHFKRBRCPDK-UHFFFAOYSA-N
MW458.56 g/mol
LogP9.24
Rot. Bonds2

About 11-(9-phenylcarbazol-2-yl)-7H-benzo[c]carbazole

11-(9-phenylcarbazol-2-yl)-7H-benzo[c]carbazole (PubChem CID 155114077) has the molecular formula C34H22N2 and a molecular weight of 458.56 g/mol. Its IUPAC name is 11-(9-phenylcarbazol-2-yl)-7H-benzo[c]carbazole.

Molecular Properties

Compound Name11-(9-phenylcarbazol-2-yl)-7H-benzo[c]carbazole
PubChem CID155114077
Molecular FormulaC34H22N2
Molecular Weight458.56 g/mol
Exact Mass458.18
IUPAC Name11-(9-phenylcarbazol-2-yl)-7H-benzo[c]carbazole
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4cccc5[nH]c6ccc7ccccc7c6c45)cc32)cc1
InChIInChI=1S/C34H22N2/c1-2-10-24(11-3-1)36-31-16-7-6-13-27(31)28-19-17-23(21-32(28)36)26-14-8-15-29-34(26)33-25-12-5-4-9-22(25)18-20-30(33)35-29/h1-21,35H
InChIKeyZIQWHFKRBRCPDK-UHFFFAOYSA-N
XLogP9.24
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms36
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.56
LogP ≤ 59.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 11-(9-phenylcarbazol-2-yl)-7H-benzo[c]carbazole?
The IUPAC name of 11-(9-phenylcarbazol-2-yl)-7H-benzo[c]carbazole (CID 155114077) is 11-(9-phenylcarbazol-2-yl)-7H-benzo[c]carbazole.
What is the SMILES notation for 11-(9-phenylcarbazol-2-yl)-7H-benzo[c]carbazole?
The canonical SMILES for 11-(9-phenylcarbazol-2-yl)-7H-benzo[c]carbazole is c1ccc(-n2c3ccccc3c3ccc(-c4cccc5[nH]c6ccc7ccccc7c6c45)cc32)cc1.
What is the InChIKey of 11-(9-phenylcarbazol-2-yl)-7H-benzo[c]carbazole?
The InChIKey is ZIQWHFKRBRCPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22N2/c1-2-10-24(11-3-1)36-31-16-7-6-13-27(31)28-19-17-23(21-32(28)36)26-14-8-15-29-34(26)33-25-12-5-4-9-22(25)18-20-30(33)35-29/h1-21,35H.
What are the key properties of 11-(9-phenylcarbazol-2-yl)-7H-benzo[c]carbazole?
11-(9-phenylcarbazol-2-yl)-7H-benzo[c]carbazole has a molecular weight of 458.56 g/mol, XLogP of 9.24, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(9-phenylcarbazol-2-yl)-7H-benzo[c]carbazole is sourced from PubChem (CID 155114077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).