9-[3-methyl-4-[6-[5-[2-methyl-5-(3-phenylcarbazol-9-yl)phenyl]-3-pyridinyl]-2-pyridinyl]phenyl]-3-phenylcarbazole

C60H42N4 — CID 123834159

About 9-[3-methyl-4-[6-[5-[2-methyl-5-(3-phenylcarbazol-9-yl)phenyl]-3-pyridinyl]-2-pyridinyl]phenyl]-3-phenylcarbazole

9-[3-methyl-4-[6-[5-[2-methyl-5-(3-phenylcarbazol-9-yl)phenyl]-3-pyridinyl]-2-pyridinyl]phenyl]-3-phenylcarbazole (PubChem CID 123834159) has the molecular formula C60H42N4 and a molecular weight of 819.02 g/mol. Its IUPAC name is 9-[3-methyl-4-[6-[5-[2-methyl-5-(3-phenylcarbazol-9-yl)phenyl]-3-pyridinyl]-2-pyridinyl]phenyl]-3-phenylcarbazole.

Molecular Properties

• Compound Name: 9-[3-methyl-4-[6-[5-[2-methyl-5-(3-phenylcarbazol-9-yl)phenyl]-3-pyridinyl]-2-pyridinyl]phenyl]-3-phenylcarbazole
• PubChem CID: 123834159
• Molecular Formula: C60H42N4
• Molecular Weight: 819.02 g/mol
• Exact Mass: 818.34
• IUPAC Name: 9-[3-methyl-4-[6-[5-[2-methyl-5-(3-phenylcarbazol-9-yl)phenyl]-3-pyridinyl]-2-pyridinyl]phenyl]-3-phenylcarbazole
• SMILES: Cc1ccc(-n2c3ccccc3c3cc(-c4ccccc4)ccc32)cc1-c1cncc(-c2cccc(-c3ccc(-n4c5ccccc5c5cc(-c6ccccc6)ccc54)cc3C)n2)c1
• InChI: InChI=1S/C60H42N4/c1-39-24-27-48(64-58-23-12-10-19-51(58)54-35-44(26-31-60(54)64)42-16-7-4-8-17-42)36-52(39)45-33-46(38-61-37-45)55-20-13-21-56(62-55)49-29-28-47(32-40(49)2)63-57-22-11-9-18-50(57)53-34-43(25-30-59(53)63)41-14-5-3-6-15-41/h3-38H,1-2H3
• InChIKey: NSLUVVBPLMKTKX-UHFFFAOYSA-N
• XLogP: 15.62
• TPSA: 35.64 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	819.02
LogP ≤ 5	15.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 9-[3-methyl-4-[6-[5-[2-methyl-5-(3-phenylcarbazol-9-yl)phenyl]-3-pyridinyl]-2-pyridinyl]phenyl]-3-phenylcarbazole?

The IUPAC name of 9-[3-methyl-4-[6-[5-[2-methyl-5-(3-phenylcarbazol-9-yl)phenyl]-3-pyridinyl]-2-pyridinyl]phenyl]-3-phenylcarbazole (CID 123834159) is 9-[3-methyl-4-[6-[5-[2-methyl-5-(3-phenylcarbazol-9-yl)phenyl]-3-pyridinyl]-2-pyridinyl]phenyl]-3-phenylcarbazole.

What is the SMILES notation for 9-[3-methyl-4-[6-[5-[2-methyl-5-(3-phenylcarbazol-9-yl)phenyl]-3-pyridinyl]-2-pyridinyl]phenyl]-3-phenylcarbazole?

The canonical SMILES for 9-[3-methyl-4-[6-[5-[2-methyl-5-(3-phenylcarbazol-9-yl)phenyl]-3-pyridinyl]-2-pyridinyl]phenyl]-3-phenylcarbazole is Cc1ccc(-n2c3ccccc3c3cc(-c4ccccc4)ccc32)cc1-c1cncc(-c2cccc(-c3ccc(-n4c5ccccc5c5cc(-c6ccccc6)ccc54)cc3C)n2)c1.

What is the InChIKey of 9-[3-methyl-4-[6-[5-[2-methyl-5-(3-phenylcarbazol-9-yl)phenyl]-3-pyridinyl]-2-pyridinyl]phenyl]-3-phenylcarbazole?

The InChIKey is NSLUVVBPLMKTKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H42N4/c1-39-24-27-48(64-58-23-12-10-19-51(58)54-35-44(26-31-60(54)64)42-16-7-4-8-17-42)36-52(39)45-33-46(38-61-37-45)55-20-13-21-56(62-55)49-29-28-47(32-40(49)2)63-57-22-11-9-18-50(57)53-34-43(25-30-59(53)63)41-14-5-3-6-15-41/h3-38H,1-2H3.

What are the key properties of 9-[3-methyl-4-[6-[5-[2-methyl-5-(3-phenylcarbazol-9-yl)phenyl]-3-pyridinyl]-2-pyridinyl]phenyl]-3-phenylcarbazole?

9-[3-methyl-4-[6-[5-[2-methyl-5-(3-phenylcarbazol-9-yl)phenyl]-3-pyridinyl]-2-pyridinyl]phenyl]-3-phenylcarbazole has a molecular weight of 819.02 g/mol, XLogP of 15.62, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[3-methyl-4-[6-[5-[2-methyl-5-(3-phenylcarbazol-9-yl)phenyl]-3-pyridinyl]-2-pyridinyl]phenyl]-3-phenylcarbazole is sourced from PubChem (CID 123834159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).