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

C87H55N7 — CID 134236821

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

3-(9-phenylcarbazol-3-yl)-9-[4-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole (PubChem CID 134236821) has the molecular formula C87H55N7 and a molecular weight of 1198.45 g/mol. Its IUPAC name is 3-(9-phenylcarbazol-3-yl)-9-[4-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole.

Molecular Properties

• Compound Name: 3-(9-phenylcarbazol-3-yl)-9-[4-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
• PubChem CID: 134236821
• Molecular Formula: C87H55N7
• Molecular Weight: 1198.45 g/mol
• Exact Mass: 1197.45
• IUPAC Name: 3-(9-phenylcarbazol-3-yl)-9-[4-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
• SMILES: c1ccc(-c2cccc(-c3cccc(-c4nc(-c5cccc(-n6c7ccccc7c7cc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)ccc76)c5)nc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)n4)c3)c2)cc1
• InChI: InChI=1S/C87H55N7/c1-4-21-56(22-5-1)57-23-18-24-58(49-57)59-25-19-26-64(50-59)85-88-86(90-87(89-85)94-80-40-17-13-36-72(80)76-55-63(44-48-84(76)94)61-42-46-82-74(53-61)70-34-11-15-38-78(70)92(82)67-30-8-3-9-31-67)65-27-20-32-68(51-65)93-79-39-16-12-35-71(79)75-54-62(43-47-83(75)93)60-41-45-81-73(52-60)69-33-10-14-37-77(69)91(81)66-28-6-2-7-29-66/h1-55H
• InChIKey: CXZGWZFNDXCNAG-UHFFFAOYSA-N
• XLogP: 22.26
• TPSA: 58.39 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1198.45
LogP ≤ 5	22.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 3-(9-phenylcarbazol-3-yl)-9-[4-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole (CID 134236821) is 3-(9-phenylcarbazol-3-yl)-9-[4-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole.

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

The canonical SMILES for 3-(9-phenylcarbazol-3-yl)-9-[4-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole is c1ccc(-c2cccc(-c3cccc(-c4nc(-c5cccc(-n6c7ccccc7c7cc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)ccc76)c5)nc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)n4)c3)c2)cc1.

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

The InChIKey is CXZGWZFNDXCNAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C87H55N7/c1-4-21-56(22-5-1)57-23-18-24-58(49-57)59-25-19-26-64(50-59)85-88-86(90-87(89-85)94-80-40-17-13-36-72(80)76-55-63(44-48-84(76)94)61-42-46-82-74(53-61)70-34-11-15-38-78(70)92(82)67-30-8-3-9-31-67)65-27-20-32-68(51-65)93-79-39-16-12-35-71(79)75-54-62(43-47-83(75)93)60-41-45-81-73(52-60)69-33-10-14-37-77(69)91(81)66-28-6-2-7-29-66/h1-55H.

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

3-(9-phenylcarbazol-3-yl)-9-[4-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole has a molecular weight of 1198.45 g/mol, XLogP of 22.26, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(9-phenylcarbazol-3-yl)-9-[4-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole is sourced from PubChem (CID 134236821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).