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

C87H61N5 — CID 134236852

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

3-(9,9-dimethylfluoren-2-yl)-9-[3-[4-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]-6-[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole (PubChem CID 134236852) has the molecular formula C87H61N5 and a molecular weight of 1176.48 g/mol. Its IUPAC name is 3-(9,9-dimethylfluoren-2-yl)-9-[3-[4-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]-6-[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole.

Molecular Properties

• Compound Name: 3-(9,9-dimethylfluoren-2-yl)-9-[3-[4-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]-6-[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
• PubChem CID: 134236852
• Molecular Formula: C87H61N5
• Molecular Weight: 1176.48 g/mol
• Exact Mass: 1175.49
• IUPAC Name: 3-(9,9-dimethylfluoren-2-yl)-9-[3-[4-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]-6-[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3cccc(-c4nc(-c5cccc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c5)nc(-n5c6ccccc6c6cc(-c7ccc8c(c7)C(C)(C)c7ccccc7-8)ccc65)n4)c3)cc21
• InChI: InChI=1S/C87H61N5/c1-86(2)75-33-15-11-29-67(75)69-41-37-59(52-77(69)86)57-39-43-81-73(50-57)71-31-13-17-35-79(71)91(81)66-28-20-27-62(49-66)84-88-83(61-26-19-25-56(45-61)65-47-63(54-21-7-5-8-22-54)46-64(48-65)55-23-9-6-10-24-55)89-85(90-84)92-80-36-18-14-32-72(80)74-51-58(40-44-82(74)92)60-38-42-70-68-30-12-16-34-76(68)87(3,4)78(70)53-60/h5-53H,1-4H3
• InChIKey: NUMDPXGRZAHLAT-UHFFFAOYSA-N
• XLogP: 22.35
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1176.48
LogP ≤ 5	22.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3-(9,9-dimethylfluoren-2-yl)-9-[3-[4-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]-6-[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole (CID 134236852) is 3-(9,9-dimethylfluoren-2-yl)-9-[3-[4-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]-6-[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole.

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

The canonical SMILES for 3-(9,9-dimethylfluoren-2-yl)-9-[3-[4-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]-6-[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole is CC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3cccc(-c4nc(-c5cccc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c5)nc(-n5c6ccccc6c6cc(-c7ccc8c(c7)C(C)(C)c7ccccc7-8)ccc65)n4)c3)cc21.

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

The InChIKey is NUMDPXGRZAHLAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C87H61N5/c1-86(2)75-33-15-11-29-67(75)69-41-37-59(52-77(69)86)57-39-43-81-73(50-57)71-31-13-17-35-79(71)91(81)66-28-20-27-62(49-66)84-88-83(61-26-19-25-56(45-61)65-47-63(54-21-7-5-8-22-54)46-64(48-65)55-23-9-6-10-24-55)89-85(90-84)92-80-36-18-14-32-72(80)74-51-58(40-44-82(74)92)60-38-42-70-68-30-12-16-34-76(68)87(3,4)78(70)53-60/h5-53H,1-4H3.

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

3-(9,9-dimethylfluoren-2-yl)-9-[3-[4-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]-6-[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole has a molecular weight of 1176.48 g/mol, XLogP of 22.35, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(9,9-dimethylfluoren-2-yl)-9-[3-[4-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]-6-[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole is sourced from PubChem (CID 134236852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).