9-[4-[4-[3-[2-(1,2-dihydrocarbazol-9-yl)-4-phenylphenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole

C₆₃H₄₃N₅ — CID 154971962

About 9-[4-[4-[3-[2-(1,2-dihydrocarbazol-9-yl)-4-phenylphenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole

9-[4-[4-[3-[2-(1,2-dihydrocarbazol-9-yl)-4-phenylphenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole (PubChem CID 154971962) has the molecular formula C₆₃H₄₃N₅ and a molecular weight of 870.07 g/mol. Its IUPAC name is 9-[4-[4-[3-[2-(1,2-dihydrocarbazol-9-yl)-4-phenylphenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole.

Molecular Properties

• Compound Name: 9-[4-[4-[3-[2-(1,2-dihydrocarbazol-9-yl)-4-phenylphenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole
• PubChem CID: 154971962
• Molecular Formula: C₆₃H₄₃N₅
• Molecular Weight: 870.07 g/mol
• Exact Mass: 869.35
• IUPAC Name: 9-[4-[4-[3-[2-(1,2-dihydrocarbazol-9-yl)-4-phenylphenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole
• SMILES: C1=Cc2c(n(-c3cc(-c4ccccc4)ccc3-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccc(-n6c7ccccc7c7ccccc76)c(-c6ccccc6)c5)n4)c3)c3ccccc23)CC1
• InChI: InChI=1S/C63H43N5/c1-4-19-42(20-5-1)45-35-37-49(60(41-45)68-57-33-16-12-29-52(57)53-30-13-17-34-58(53)68)46-25-18-26-47(39-46)62-64-61(44-23-8-3-9-24-44)65-63(66-62)48-36-38-59(54(40-48)43-21-6-2-7-22-43)67-55-31-14-10-27-50(55)51-28-11-15-32-56(51)67/h1-16,18-33,35-41H,17,34H2
• InChIKey: IGRSSXCLNBJAJC-UHFFFAOYSA-N
• XLogP: 15.87
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	870.07
LogP ≤ 5	15.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 9-[4-[4-[3-[2-(1,2-dihydrocarbazol-9-yl)-4-phenylphenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole (CID 154971962) is 9-[4-[4-[3-[2-(1,2-dihydrocarbazol-9-yl)-4-phenylphenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole.

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

The canonical SMILES for 9-[4-[4-[3-[2-(1,2-dihydrocarbazol-9-yl)-4-phenylphenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole is C1=Cc2c(n(-c3cc(-c4ccccc4)ccc3-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccc(-n6c7ccccc7c7ccccc76)c(-c6ccccc6)c5)n4)c3)c3ccccc23)CC1.

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

The InChIKey is IGRSSXCLNBJAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H43N5/c1-4-19-42(20-5-1)45-35-37-49(60(41-45)68-57-33-16-12-29-52(57)53-30-13-17-34-58(53)68)46-25-18-26-47(39-46)62-64-61(44-23-8-3-9-24-44)65-63(66-62)48-36-38-59(54(40-48)43-21-6-2-7-22-43)67-55-31-14-10-27-50(55)51-28-11-15-32-56(51)67/h1-16,18-33,35-41H,17,34H2.

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

9-[4-[4-[3-[2-(1,2-dihydrocarbazol-9-yl)-4-phenylphenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole has a molecular weight of 870.07 g/mol, XLogP of 15.87, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-[4-[3-[2-(1,2-dihydrocarbazol-9-yl)-4-phenylphenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole is sourced from PubChem (CID 154971962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 154971962 — identifiers, structure, computed properties (public domain)

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