1-[4-[4-(3H-carbazol-1-yl)phenyl]phenyl]-3H-carbazole

C36H24N2 — CID 134261027

IUPAC1-[4-[4-(3H-carbazol-1-yl)phenyl]phenyl]-3H-carbazole
SMILESC1=C(c2ccc(-c3ccc(C4=CCC=C5C4=Nc4ccccc45)cc3)cc2)C2=Nc3ccccc3C2=CC1
InChIInChI=1S/C36H24N2/c1-3-13-33-29(7-1)31-11-5-9-27(35(31)37-33)25-19-15-23(16-20-25)24-17-21-26(22-18-24)28-10-6-12-32-30-8-2-4-14-34(30)38-36(28)32/h1-4,7-22H,5-6H2
InChIKeyLLLZPWYCYGBPKH-UHFFFAOYSA-N
MW484.60 g/mol
LogP9.27
Rot. Bonds3

About 1-[4-[4-(3H-carbazol-1-yl)phenyl]phenyl]-3H-carbazole

1-[4-[4-(3H-carbazol-1-yl)phenyl]phenyl]-3H-carbazole (PubChem CID 134261027) has the molecular formula C36H24N2 and a molecular weight of 484.60 g/mol. Its IUPAC name is 1-[4-[4-(3H-carbazol-1-yl)phenyl]phenyl]-3H-carbazole.

Molecular Properties

Compound Name1-[4-[4-(3H-carbazol-1-yl)phenyl]phenyl]-3H-carbazole
PubChem CID134261027
Molecular FormulaC36H24N2
Molecular Weight484.60 g/mol
Exact Mass484.19
IUPAC Name1-[4-[4-(3H-carbazol-1-yl)phenyl]phenyl]-3H-carbazole
SMILESC1=C(c2ccc(-c3ccc(C4=CCC=C5C4=Nc4ccccc45)cc3)cc2)C2=Nc3ccccc3C2=CC1
InChIInChI=1S/C36H24N2/c1-3-13-33-29(7-1)31-11-5-9-27(35(31)37-33)25-19-15-23(16-20-25)24-17-21-26(22-18-24)28-10-6-12-32-30-8-2-4-14-34(30)38-36(28)32/h1-4,7-22H,5-6H2
InChIKeyLLLZPWYCYGBPKH-UHFFFAOYSA-N
XLogP9.27
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.60
LogP ≤ 59.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(3H-carbazol-1-yl)phenyl]phenyl]-3H-carbazole?
The IUPAC name of 1-[4-[4-(3H-carbazol-1-yl)phenyl]phenyl]-3H-carbazole (CID 134261027) is 1-[4-[4-(3H-carbazol-1-yl)phenyl]phenyl]-3H-carbazole.
What is the SMILES notation for 1-[4-[4-(3H-carbazol-1-yl)phenyl]phenyl]-3H-carbazole?
The canonical SMILES for 1-[4-[4-(3H-carbazol-1-yl)phenyl]phenyl]-3H-carbazole is C1=C(c2ccc(-c3ccc(C4=CCC=C5C4=Nc4ccccc45)cc3)cc2)C2=Nc3ccccc3C2=CC1.
What is the InChIKey of 1-[4-[4-(3H-carbazol-1-yl)phenyl]phenyl]-3H-carbazole?
The InChIKey is LLLZPWYCYGBPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24N2/c1-3-13-33-29(7-1)31-11-5-9-27(35(31)37-33)25-19-15-23(16-20-25)24-17-21-26(22-18-24)28-10-6-12-32-30-8-2-4-14-34(30)38-36(28)32/h1-4,7-22H,5-6H2.
What are the key properties of 1-[4-[4-(3H-carbazol-1-yl)phenyl]phenyl]-3H-carbazole?
1-[4-[4-(3H-carbazol-1-yl)phenyl]phenyl]-3H-carbazole has a molecular weight of 484.60 g/mol, XLogP of 9.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(3H-carbazol-1-yl)phenyl]phenyl]-3H-carbazole is sourced from PubChem (CID 134261027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).