2-N-(2,6-diphenylphenyl)-1-N-[3-[9-(5-pyridin-3-yl-2-pyridinyl)carbazol-2-yl]oxyphenyl]benzene-1,2-diamine

C52H37N5O — CID 165167854

About 2-N-(2,6-diphenylphenyl)-1-N-[3-[9-(5-pyridin-3-yl-2-pyridinyl)carbazol-2-yl]oxyphenyl]benzene-1,2-diamine

2-N-(2,6-diphenylphenyl)-1-N-[3-[9-(5-pyridin-3-yl-2-pyridinyl)carbazol-2-yl]oxyphenyl]benzene-1,2-diamine (PubChem CID 165167854) has the molecular formula C52H37N5O and a molecular weight of 747.90 g/mol. Its IUPAC name is 2-N-(2,6-diphenylphenyl)-1-N-[3-[9-(5-pyridin-3-yl-2-pyridinyl)carbazol-2-yl]oxyphenyl]benzene-1,2-diamine.

Molecular Properties

• Compound Name: 2-N-(2,6-diphenylphenyl)-1-N-[3-[9-(5-pyridin-3-yl-2-pyridinyl)carbazol-2-yl]oxyphenyl]benzene-1,2-diamine
• PubChem CID: 165167854
• Molecular Formula: C52H37N5O
• Molecular Weight: 747.90 g/mol
• Exact Mass: 747.30
• IUPAC Name: 2-N-(2,6-diphenylphenyl)-1-N-[3-[9-(5-pyridin-3-yl-2-pyridinyl)carbazol-2-yl]oxyphenyl]benzene-1,2-diamine
• SMILES: c1ccc(-c2cccc(-c3ccccc3)c2Nc2ccccc2Nc2cccc(Oc3ccc4c5ccccc5n(-c5ccc(-c6cccnc6)cn5)c4c3)c2)cc1
• InChI: InChI=1S/C52H37N5O/c1-3-14-36(15-4-1)43-22-12-23-44(37-16-5-2-6-17-37)52(43)56-48-25-9-8-24-47(48)55-40-19-11-20-41(32-40)58-42-28-29-46-45-21-7-10-26-49(45)57(50(46)33-42)51-30-27-39(35-54-51)38-18-13-31-53-34-38/h1-35,55-56H
• InChIKey: CRBXNQCNZBFEAF-UHFFFAOYSA-N
• XLogP: 13.85
• TPSA: 64.00 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	747.90
LogP ≤ 5	13.85
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,6-diphenylphenyl)-1-N-[3-[9-(5-pyridin-3-yl-2-pyridinyl)carbazol-2-yl]oxyphenyl]benzene-1,2-diamine?

The IUPAC name of 2-N-(2,6-diphenylphenyl)-1-N-[3-[9-(5-pyridin-3-yl-2-pyridinyl)carbazol-2-yl]oxyphenyl]benzene-1,2-diamine (CID 165167854) is 2-N-(2,6-diphenylphenyl)-1-N-[3-[9-(5-pyridin-3-yl-2-pyridinyl)carbazol-2-yl]oxyphenyl]benzene-1,2-diamine.

What is the SMILES notation for 2-N-(2,6-diphenylphenyl)-1-N-[3-[9-(5-pyridin-3-yl-2-pyridinyl)carbazol-2-yl]oxyphenyl]benzene-1,2-diamine?

The canonical SMILES for 2-N-(2,6-diphenylphenyl)-1-N-[3-[9-(5-pyridin-3-yl-2-pyridinyl)carbazol-2-yl]oxyphenyl]benzene-1,2-diamine is c1ccc(-c2cccc(-c3ccccc3)c2Nc2ccccc2Nc2cccc(Oc3ccc4c5ccccc5n(-c5ccc(-c6cccnc6)cn5)c4c3)c2)cc1.

What is the InChIKey of 2-N-(2,6-diphenylphenyl)-1-N-[3-[9-(5-pyridin-3-yl-2-pyridinyl)carbazol-2-yl]oxyphenyl]benzene-1,2-diamine?

The InChIKey is CRBXNQCNZBFEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H37N5O/c1-3-14-36(15-4-1)43-22-12-23-44(37-16-5-2-6-17-37)52(43)56-48-25-9-8-24-47(48)55-40-19-11-20-41(32-40)58-42-28-29-46-45-21-7-10-26-49(45)57(50(46)33-42)51-30-27-39(35-54-51)38-18-13-31-53-34-38/h1-35,55-56H.

What are the key properties of 2-N-(2,6-diphenylphenyl)-1-N-[3-[9-(5-pyridin-3-yl-2-pyridinyl)carbazol-2-yl]oxyphenyl]benzene-1,2-diamine?

2-N-(2,6-diphenylphenyl)-1-N-[3-[9-(5-pyridin-3-yl-2-pyridinyl)carbazol-2-yl]oxyphenyl]benzene-1,2-diamine has a molecular weight of 747.90 g/mol, XLogP of 13.85, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-(2,6-diphenylphenyl)-1-N-[3-[9-(5-pyridin-3-yl-2-pyridinyl)carbazol-2-yl]oxyphenyl]benzene-1,2-diamine is sourced from PubChem (CID 165167854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).