9-phenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine

C36H26N2 — CID 142745530

IUPAC9-phenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine
SMILESc1ccc(-c2ccc(-c3ccc(Nc4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc3)cc2)cc1
InChIInChI=1S/C36H26N2/c1-3-9-26(10-4-1)27-15-17-28(18-16-27)29-19-21-30(22-20-29)37-31-23-24-34-33-13-7-8-14-35(33)38(36(34)25-31)32-11-5-2-6-12-32/h1-25,37H
InChIKeyRIKKFEDGTXNPAP-UHFFFAOYSA-N
MW486.62 g/mol
LogP9.86
Rot. Bonds5

About 9-phenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine

9-phenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine (PubChem CID 142745530) has the molecular formula C36H26N2 and a molecular weight of 486.62 g/mol. Its IUPAC name is 9-phenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine.

Molecular Properties

Compound Name9-phenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine
PubChem CID142745530
Molecular FormulaC36H26N2
Molecular Weight486.62 g/mol
Exact Mass486.21
IUPAC Name9-phenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine
SMILESc1ccc(-c2ccc(-c3ccc(Nc4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc3)cc2)cc1
InChIInChI=1S/C36H26N2/c1-3-9-26(10-4-1)27-15-17-28(18-16-27)29-19-21-30(22-20-29)37-31-23-24-34-33-13-7-8-14-35(33)38(36(34)25-31)32-11-5-2-6-12-32/h1-25,37H
InChIKeyRIKKFEDGTXNPAP-UHFFFAOYSA-N
XLogP9.86
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms38
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.62
LogP ≤ 59.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-phenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine?
The IUPAC name of 9-phenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine (CID 142745530) is 9-phenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine.
What is the SMILES notation for 9-phenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine?
The canonical SMILES for 9-phenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine is c1ccc(-c2ccc(-c3ccc(Nc4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc3)cc2)cc1.
What is the InChIKey of 9-phenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine?
The InChIKey is RIKKFEDGTXNPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H26N2/c1-3-9-26(10-4-1)27-15-17-28(18-16-27)29-19-21-30(22-20-29)37-31-23-24-34-33-13-7-8-14-35(33)38(36(34)25-31)32-11-5-2-6-12-32/h1-25,37H.
What are the key properties of 9-phenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine?
9-phenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine has a molecular weight of 486.62 g/mol, XLogP of 9.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine is sourced from PubChem (CID 142745530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).