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

C99H63N7 — CID 134236862

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

3-[9-[4-[4-[3-(3,5-diphenylphenyl)phenyl]-6-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]-9-phenylcarbazole (PubChem CID 134236862) has the molecular formula C99H63N7 and a molecular weight of 1350.64 g/mol. Its IUPAC name is 3-[9-[4-[4-[3-(3,5-diphenylphenyl)phenyl]-6-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]-9-phenylcarbazole.

Molecular Properties

• Compound Name: 3-[9-[4-[4-[3-(3,5-diphenylphenyl)phenyl]-6-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]-9-phenylcarbazole
• PubChem CID: 134236862
• Molecular Formula: C99H63N7
• Molecular Weight: 1350.64 g/mol
• Exact Mass: 1349.51
• IUPAC Name: 3-[9-[4-[4-[3-(3,5-diphenylphenyl)phenyl]-6-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]-9-phenylcarbazole
• SMILES: c1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4nc(-c5ccc(-n6c7ccccc7c7ccc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)cc76)cc5)nc(-c5ccc(-n6c7ccccc7c7ccc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)cc76)cc5)n4)c3)c2)cc1
• InChI: InChI=1S/C99H63N7/c1-5-22-64(23-6-1)74-57-75(65-24-7-2-8-25-65)59-76(58-74)68-26-21-27-73(56-68)99-101-97(66-40-48-79(49-41-66)105-89-36-17-13-32-81(89)85-52-44-71(62-95(85)105)69-46-54-93-87(60-69)83-34-15-19-38-91(83)103(93)77-28-9-3-10-29-77)100-98(102-99)67-42-50-80(51-43-67)106-90-37-18-14-33-82(90)86-53-45-72(63-96(86)106)70-47-55-94-88(61-70)84-35-16-20-39-92(84)104(94)78-30-11-4-12-31-78/h1-63H
• InChIKey: KSCNIRQGBGYHHE-UHFFFAOYSA-N
• XLogP: 25.60
• TPSA: 58.39 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 12
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1350.64
LogP ≤ 5	25.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 3-[9-[4-[4-[3-(3,5-diphenylphenyl)phenyl]-6-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]-9-phenylcarbazole (CID 134236862) is 3-[9-[4-[4-[3-(3,5-diphenylphenyl)phenyl]-6-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]-9-phenylcarbazole.

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

The canonical SMILES for 3-[9-[4-[4-[3-(3,5-diphenylphenyl)phenyl]-6-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]-9-phenylcarbazole is c1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4nc(-c5ccc(-n6c7ccccc7c7ccc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)cc76)cc5)nc(-c5ccc(-n6c7ccccc7c7ccc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)cc76)cc5)n4)c3)c2)cc1.

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

The InChIKey is KSCNIRQGBGYHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C99H63N7/c1-5-22-64(23-6-1)74-57-75(65-24-7-2-8-25-65)59-76(58-74)68-26-21-27-73(56-68)99-101-97(66-40-48-79(49-41-66)105-89-36-17-13-32-81(89)85-52-44-71(62-95(85)105)69-46-54-93-87(60-69)83-34-15-19-38-91(83)103(93)77-28-9-3-10-29-77)100-98(102-99)67-42-50-80(51-43-67)106-90-37-18-14-33-82(90)86-53-45-72(63-96(86)106)70-47-55-94-88(61-70)84-35-16-20-39-92(84)104(94)78-30-11-4-12-31-78/h1-63H.

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

3-[9-[4-[4-[3-(3,5-diphenylphenyl)phenyl]-6-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]-9-phenylcarbazole has a molecular weight of 1350.64 g/mol, XLogP of 25.60, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[9-[4-[4-[3-(3,5-diphenylphenyl)phenyl]-6-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]-9-phenylcarbazole is sourced from PubChem (CID 134236862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).