9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole

C36H24N2 — CID 23386665

IUPAC9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc32)cc1
InChIInChI=1S/C36H24N2/c1-3-11-27(12-4-1)37-33-17-9-7-15-29(33)31-23-25(19-21-35(31)37)26-20-22-36-32(24-26)30-16-8-10-18-34(30)38(36)28-13-5-2-6-14-28/h1-24H
InChIKeyMHTPESFJWCJELK-UHFFFAOYSA-N
MW484.60 g/mol
LogP9.55
Rot. Bonds3

About 9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole

9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole (PubChem CID 23386665) has the molecular formula C36H24N2 and a molecular weight of 484.60 g/mol. Its IUPAC name is 9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole.

Molecular Properties

Compound Name9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
PubChem CID23386665
Molecular FormulaC36H24N2
Molecular Weight484.60 g/mol
Exact Mass484.19
IUPAC Name9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc32)cc1
InChIInChI=1S/C36H24N2/c1-3-11-27(12-4-1)37-33-17-9-7-15-29(33)31-23-25(19-21-35(31)37)26-20-22-36-32(24-26)30-16-8-10-18-34(30)38(36)28-13-5-2-6-14-28/h1-24H
InChIKeyMHTPESFJWCJELK-UHFFFAOYSA-N
XLogP9.55
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.60
LogP ≤ 59.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole?
The IUPAC name of 9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole (CID 23386665) is 9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole.
What is the SMILES notation for 9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole?
The canonical SMILES for 9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc32)cc1.
What is the InChIKey of 9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole?
The InChIKey is MHTPESFJWCJELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24N2/c1-3-11-27(12-4-1)37-33-17-9-7-15-29(33)31-23-25(19-21-35(31)37)26-20-22-36-32(24-26)30-16-8-10-18-34(30)38(36)28-13-5-2-6-14-28/h1-24H.
What are the key properties of 9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole?
9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole has a molecular weight of 484.60 g/mol, XLogP of 9.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole is sourced from PubChem (CID 23386665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).