2-(2,6-diphenyl-4-pyridinyl)-6-phenylcarbazol-9-amine

C35H25N3 — CID 142508157

IUPAC2-(2,6-diphenyl-4-pyridinyl)-6-phenylcarbazol-9-amine
SMILESNn1c2ccc(-c3ccccc3)cc2c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)c3)cc21
InChIInChI=1S/C35H25N3/c36-38-34-19-17-27(24-10-4-1-5-11-24)20-31(34)30-18-16-28(23-35(30)38)29-21-32(25-12-6-2-7-13-25)37-33(22-29)26-14-8-3-9-15-26/h1-23H,36H2
InChIKeyDTBUNVFHXYQSDH-UHFFFAOYSA-N
MW487.61 g/mol
LogP8.57
Rot. Bonds4

About 2-(2,6-diphenyl-4-pyridinyl)-6-phenylcarbazol-9-amine

2-(2,6-diphenyl-4-pyridinyl)-6-phenylcarbazol-9-amine (PubChem CID 142508157) has the molecular formula C35H25N3 and a molecular weight of 487.61 g/mol. Its IUPAC name is 2-(2,6-diphenyl-4-pyridinyl)-6-phenylcarbazol-9-amine.

Molecular Properties

Compound Name2-(2,6-diphenyl-4-pyridinyl)-6-phenylcarbazol-9-amine
PubChem CID142508157
Molecular FormulaC35H25N3
Molecular Weight487.61 g/mol
Exact Mass487.20
IUPAC Name2-(2,6-diphenyl-4-pyridinyl)-6-phenylcarbazol-9-amine
SMILESNn1c2ccc(-c3ccccc3)cc2c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)c3)cc21
InChIInChI=1S/C35H25N3/c36-38-34-19-17-27(24-10-4-1-5-11-24)20-31(34)30-18-16-28(23-35(30)38)29-21-32(25-12-6-2-7-13-25)37-33(22-29)26-14-8-3-9-15-26/h1-23H,36H2
InChIKeyDTBUNVFHXYQSDH-UHFFFAOYSA-N
XLogP8.57
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms38
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.61
LogP ≤ 58.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-diphenyl-4-pyridinyl)-6-phenylcarbazol-9-amine?
The IUPAC name of 2-(2,6-diphenyl-4-pyridinyl)-6-phenylcarbazol-9-amine (CID 142508157) is 2-(2,6-diphenyl-4-pyridinyl)-6-phenylcarbazol-9-amine.
What is the SMILES notation for 2-(2,6-diphenyl-4-pyridinyl)-6-phenylcarbazol-9-amine?
The canonical SMILES for 2-(2,6-diphenyl-4-pyridinyl)-6-phenylcarbazol-9-amine is Nn1c2ccc(-c3ccccc3)cc2c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)c3)cc21.
What is the InChIKey of 2-(2,6-diphenyl-4-pyridinyl)-6-phenylcarbazol-9-amine?
The InChIKey is DTBUNVFHXYQSDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H25N3/c36-38-34-19-17-27(24-10-4-1-5-11-24)20-31(34)30-18-16-28(23-35(30)38)29-21-32(25-12-6-2-7-13-25)37-33(22-29)26-14-8-3-9-15-26/h1-23H,36H2.
What are the key properties of 2-(2,6-diphenyl-4-pyridinyl)-6-phenylcarbazol-9-amine?
2-(2,6-diphenyl-4-pyridinyl)-6-phenylcarbazol-9-amine has a molecular weight of 487.61 g/mol, XLogP of 8.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-diphenyl-4-pyridinyl)-6-phenylcarbazol-9-amine is sourced from PubChem (CID 142508157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).