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

C75H49N5 — CID 146280519

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

3-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-5-phenylcarbazole (PubChem CID 146280519) has the molecular formula C75H49N5 and a molecular weight of 1020.25 g/mol. Its IUPAC name is 3-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-5-phenylcarbazole.

Molecular Properties

• Compound Name: 3-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-5-phenylcarbazole
• PubChem CID: 146280519
• Molecular Formula: C75H49N5
• Molecular Weight: 1020.25 g/mol
• Exact Mass: 1019.40
• IUPAC Name: 3-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-5-phenylcarbazole
• SMILES: c1ccc(-c2ccc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc(-c4ccc(-c5ccccc5)cc4)c3-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4c(-c5ccccc5)cccc43)cc2)cc1
• InChI: InChI=1S/C75H49N5/c1-6-21-50(22-7-1)52-37-41-55(42-38-52)64-47-59(75-77-73(57-27-12-4-13-28-57)76-74(78-75)58-29-14-5-15-30-58)48-65(56-43-39-53(40-44-56)51-23-8-2-9-24-51)72(64)80-69-46-45-60(79-67-34-18-16-31-62(67)63-32-17-19-35-68(63)79)49-66(69)71-61(33-20-36-70(71)80)54-25-10-3-11-26-54/h1-49H
• InChIKey: OTUAFMMTTFUZHZ-UHFFFAOYSA-N
• XLogP: 19.40
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1020.25
LogP ≤ 5	19.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-5-phenylcarbazole (CID 146280519) is 3-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-5-phenylcarbazole.

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

The canonical SMILES for 3-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-5-phenylcarbazole is c1ccc(-c2ccc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc(-c4ccc(-c5ccccc5)cc4)c3-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4c(-c5ccccc5)cccc43)cc2)cc1.

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

The InChIKey is OTUAFMMTTFUZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H49N5/c1-6-21-50(22-7-1)52-37-41-55(42-38-52)64-47-59(75-77-73(57-27-12-4-13-28-57)76-74(78-75)58-29-14-5-15-30-58)48-65(56-43-39-53(40-44-56)51-23-8-2-9-24-51)72(64)80-69-46-45-60(79-67-34-18-16-31-62(67)63-32-17-19-35-68(63)79)49-66(69)71-61(33-20-36-70(71)80)54-25-10-3-11-26-54/h1-49H.

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

3-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-5-phenylcarbazole has a molecular weight of 1020.25 g/mol, XLogP of 19.40, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-5-phenylcarbazole is sourced from PubChem (CID 146280519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).