9-[4-[6-[2-carbazol-9-yl-5-(3-phenylphenyl)phenyl]-3-pyridinyl]-6-phenyl-1,3,5-triazin-2-yl]-1-phenylcarbazole

C62H40N6 — CID 139303271

About 9-[4-[6-[2-carbazol-9-yl-5-(3-phenylphenyl)phenyl]-3-pyridinyl]-6-phenyl-1,3,5-triazin-2-yl]-1-phenylcarbazole

9-[4-[6-[2-carbazol-9-yl-5-(3-phenylphenyl)phenyl]-3-pyridinyl]-6-phenyl-1,3,5-triazin-2-yl]-1-phenylcarbazole (PubChem CID 139303271) has the molecular formula C62H40N6 and a molecular weight of 869.04 g/mol. Its IUPAC name is 9-[4-[6-[2-carbazol-9-yl-5-(3-phenylphenyl)phenyl]-3-pyridinyl]-6-phenyl-1,3,5-triazin-2-yl]-1-phenylcarbazole.

Molecular Properties

• Compound Name: 9-[4-[6-[2-carbazol-9-yl-5-(3-phenylphenyl)phenyl]-3-pyridinyl]-6-phenyl-1,3,5-triazin-2-yl]-1-phenylcarbazole
• PubChem CID: 139303271
• Molecular Formula: C62H40N6
• Molecular Weight: 869.04 g/mol
• Exact Mass: 868.33
• IUPAC Name: 9-[4-[6-[2-carbazol-9-yl-5-(3-phenylphenyl)phenyl]-3-pyridinyl]-6-phenyl-1,3,5-triazin-2-yl]-1-phenylcarbazole
• SMILES: c1ccc(-c2cccc(-c3ccc(-n4c5ccccc5c5ccccc54)c(-c4ccc(-c5nc(-c6ccccc6)nc(-n6c7ccccc7c7cccc(-c8ccccc8)c76)n5)cn4)c3)c2)cc1
• InChI: InChI=1S/C62H40N6/c1-4-18-41(19-5-1)44-24-16-25-45(38-44)46-35-37-58(67-55-31-13-10-26-49(55)50-27-11-14-32-56(50)67)53(39-46)54-36-34-47(40-63-54)61-64-60(43-22-8-3-9-23-43)65-62(66-61)68-57-33-15-12-28-51(57)52-30-17-29-48(59(52)68)42-20-6-2-7-21-42/h1-40H
• InChIKey: MGCZRPDXQAUKNP-UHFFFAOYSA-N
• XLogP: 15.46
• TPSA: 61.42 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	869.04
LogP ≤ 5	15.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 9-[4-[6-[2-carbazol-9-yl-5-(3-phenylphenyl)phenyl]-3-pyridinyl]-6-phenyl-1,3,5-triazin-2-yl]-1-phenylcarbazole?

The IUPAC name of 9-[4-[6-[2-carbazol-9-yl-5-(3-phenylphenyl)phenyl]-3-pyridinyl]-6-phenyl-1,3,5-triazin-2-yl]-1-phenylcarbazole (CID 139303271) is 9-[4-[6-[2-carbazol-9-yl-5-(3-phenylphenyl)phenyl]-3-pyridinyl]-6-phenyl-1,3,5-triazin-2-yl]-1-phenylcarbazole.

What is the SMILES notation for 9-[4-[6-[2-carbazol-9-yl-5-(3-phenylphenyl)phenyl]-3-pyridinyl]-6-phenyl-1,3,5-triazin-2-yl]-1-phenylcarbazole?

The canonical SMILES for 9-[4-[6-[2-carbazol-9-yl-5-(3-phenylphenyl)phenyl]-3-pyridinyl]-6-phenyl-1,3,5-triazin-2-yl]-1-phenylcarbazole is c1ccc(-c2cccc(-c3ccc(-n4c5ccccc5c5ccccc54)c(-c4ccc(-c5nc(-c6ccccc6)nc(-n6c7ccccc7c7cccc(-c8ccccc8)c76)n5)cn4)c3)c2)cc1.

What is the InChIKey of 9-[4-[6-[2-carbazol-9-yl-5-(3-phenylphenyl)phenyl]-3-pyridinyl]-6-phenyl-1,3,5-triazin-2-yl]-1-phenylcarbazole?

The InChIKey is MGCZRPDXQAUKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H40N6/c1-4-18-41(19-5-1)44-24-16-25-45(38-44)46-35-37-58(67-55-31-13-10-26-49(55)50-27-11-14-32-56(50)67)53(39-46)54-36-34-47(40-63-54)61-64-60(43-22-8-3-9-23-43)65-62(66-61)68-57-33-15-12-28-51(57)52-30-17-29-48(59(52)68)42-20-6-2-7-21-42/h1-40H.

What are the key properties of 9-[4-[6-[2-carbazol-9-yl-5-(3-phenylphenyl)phenyl]-3-pyridinyl]-6-phenyl-1,3,5-triazin-2-yl]-1-phenylcarbazole?

9-[4-[6-[2-carbazol-9-yl-5-(3-phenylphenyl)phenyl]-3-pyridinyl]-6-phenyl-1,3,5-triazin-2-yl]-1-phenylcarbazole has a molecular weight of 869.04 g/mol, XLogP of 15.46, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-[6-[2-carbazol-9-yl-5-(3-phenylphenyl)phenyl]-3-pyridinyl]-6-phenyl-1,3,5-triazin-2-yl]-1-phenylcarbazole is sourced from PubChem (CID 139303271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).