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

C93H61N5 — CID 151402945

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

9-[3-[3,6-bis(2-phenylphenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(2-phenylphenyl)carbazole (PubChem CID 151402945) has the molecular formula C93H61N5 and a molecular weight of 1248.55 g/mol. Its IUPAC name is 9-[3-[3,6-bis(2-phenylphenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(2-phenylphenyl)carbazole.

Molecular Properties

• Compound Name: 9-[3-[3,6-bis(2-phenylphenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(2-phenylphenyl)carbazole
• PubChem CID: 151402945
• Molecular Formula: C93H61N5
• Molecular Weight: 1248.55 g/mol
• Exact Mass: 1247.49
• IUPAC Name: 9-[3-[3,6-bis(2-phenylphenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(2-phenylphenyl)carbazole
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-n4c5ccc(-c6ccccc6-c6ccccc6)cc5c5cc(-c6ccccc6-c6ccccc6)ccc54)cc(-n4c5ccc(-c6ccccc6-c6ccccc6)cc5c5cc(-c6ccccc6-c6ccccc6)ccc54)c3)n2)cc1
• InChI: InChI=1S/C93H61N5/c1-7-27-62(28-8-1)75-39-19-23-43-79(75)68-47-51-87-83(57-68)84-58-69(80-44-24-20-40-76(80)63-29-9-2-10-30-63)48-52-88(84)97(87)73-55-72(93-95-91(66-35-15-5-16-36-66)94-92(96-93)67-37-17-6-18-38-67)56-74(61-73)98-89-53-49-70(81-45-25-21-41-77(81)64-31-11-3-12-32-64)59-85(89)86-60-71(50-54-90(86)98)82-46-26-22-42-78(82)65-33-13-4-14-34-65/h1-61H
• InChIKey: OWWXCZNEZWWYNU-UHFFFAOYSA-N
• XLogP: 24.40
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 13
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1248.55
LogP ≤ 5	24.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 9-[3-[3,6-bis(2-phenylphenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(2-phenylphenyl)carbazole (CID 151402945) is 9-[3-[3,6-bis(2-phenylphenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(2-phenylphenyl)carbazole.

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

The canonical SMILES for 9-[3-[3,6-bis(2-phenylphenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(2-phenylphenyl)carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-n4c5ccc(-c6ccccc6-c6ccccc6)cc5c5cc(-c6ccccc6-c6ccccc6)ccc54)cc(-n4c5ccc(-c6ccccc6-c6ccccc6)cc5c5cc(-c6ccccc6-c6ccccc6)ccc54)c3)n2)cc1.

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

The InChIKey is OWWXCZNEZWWYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C93H61N5/c1-7-27-62(28-8-1)75-39-19-23-43-79(75)68-47-51-87-83(57-68)84-58-69(80-44-24-20-40-76(80)63-29-9-2-10-30-63)48-52-88(84)97(87)73-55-72(93-95-91(66-35-15-5-16-36-66)94-92(96-93)67-37-17-6-18-38-67)56-74(61-73)98-89-53-49-70(81-45-25-21-41-77(81)64-31-11-3-12-32-64)59-85(89)86-60-71(50-54-90(86)98)82-46-26-22-42-78(82)65-33-13-4-14-34-65/h1-61H.

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

9-[3-[3,6-bis(2-phenylphenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(2-phenylphenyl)carbazole has a molecular weight of 1248.55 g/mol, XLogP of 24.40, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[3-[3,6-bis(2-phenylphenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(2-phenylphenyl)carbazole is sourced from PubChem (CID 151402945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).