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

C88H62N8 — CID 162500772

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

3-(3,5-dimethylphenyl)-9-[5-[3-[3-[3-(3,5-dimethylphenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole (PubChem CID 162500772) has the molecular formula C88H62N8 and a molecular weight of 1231.52 g/mol. Its IUPAC name is 3-(3,5-dimethylphenyl)-9-[5-[3-[3-[3-(3,5-dimethylphenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole.

Molecular Properties

• Compound Name: 3-(3,5-dimethylphenyl)-9-[5-[3-[3-[3-(3,5-dimethylphenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
• PubChem CID: 162500772
• Molecular Formula: C88H62N8
• Molecular Weight: 1231.52 g/mol
• Exact Mass: 1230.51
• IUPAC Name: 3-(3,5-dimethylphenyl)-9-[5-[3-[3-[3-(3,5-dimethylphenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
• SMILES: Cc1cc(C)cc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3cccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c(-n5c6ccccc6c6cc(-c7cc(C)cc(C)c7)ccc65)c4)c3)ccc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1
• InChI: InChI=1S/C88H62N8/c1-55-44-56(2)47-69(46-55)65-38-42-79-75(51-65)71-32-17-19-34-77(71)95(79)81-53-67(36-40-73(81)87-91-83(59-22-9-5-10-23-59)89-84(92-87)60-24-11-6-12-25-60)63-30-21-31-64(50-63)68-37-41-74(88-93-85(61-26-13-7-14-27-61)90-86(94-88)62-28-15-8-16-29-62)82(54-68)96-78-35-20-18-33-72(78)76-52-66(39-43-80(76)96)70-48-57(3)45-58(4)49-70/h5-54H,1-4H3
• InChIKey: RNVYVOLDEWCBEX-UHFFFAOYSA-N
• XLogP: 22.15
• TPSA: 87.20 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1231.52
LogP ≤ 5	22.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 3-(3,5-dimethylphenyl)-9-[5-[3-[3-[3-(3,5-dimethylphenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole (CID 162500772) is 3-(3,5-dimethylphenyl)-9-[5-[3-[3-[3-(3,5-dimethylphenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole.

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

The canonical SMILES for 3-(3,5-dimethylphenyl)-9-[5-[3-[3-[3-(3,5-dimethylphenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole is Cc1cc(C)cc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3cccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c(-n5c6ccccc6c6cc(-c7cc(C)cc(C)c7)ccc65)c4)c3)ccc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.

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

The InChIKey is RNVYVOLDEWCBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H62N8/c1-55-44-56(2)47-69(46-55)65-38-42-79-75(51-65)71-32-17-19-34-77(71)95(79)81-53-67(36-40-73(81)87-91-83(59-22-9-5-10-23-59)89-84(92-87)60-24-11-6-12-25-60)63-30-21-31-64(50-63)68-37-41-74(88-93-85(61-26-13-7-14-27-61)90-86(94-88)62-28-15-8-16-29-62)82(54-68)96-78-35-20-18-33-72(78)76-52-66(39-43-80(76)96)70-48-57(3)45-58(4)49-70/h5-54H,1-4H3.

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

3-(3,5-dimethylphenyl)-9-[5-[3-[3-[3-(3,5-dimethylphenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole has a molecular weight of 1231.52 g/mol, XLogP of 22.15, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3,5-dimethylphenyl)-9-[5-[3-[3-[3-(3,5-dimethylphenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole is sourced from PubChem (CID 162500772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).