N-(9,9-dimethylfluoren-3-yl)-9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-[9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-yl]phenyl]fluoren-2-amine

C83H58N2 — CID 167334044

About N-(9,9-dimethylfluoren-3-yl)-9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-[9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-yl]phenyl]fluoren-2-amine

N-(9,9-dimethylfluoren-3-yl)-9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-[9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-yl]phenyl]fluoren-2-amine (PubChem CID 167334044) has the molecular formula C83H58N2 and a molecular weight of 1087.42 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-3-yl)-9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-[9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-yl]phenyl]fluoren-2-amine.

Molecular Properties

• Compound Name: N-(9,9-dimethylfluoren-3-yl)-9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-[9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-yl]phenyl]fluoren-2-amine
• PubChem CID: 167334044
• Molecular Formula: C83H58N2
• Molecular Weight: 1087.42 g/mol
• Exact Mass: 1086.49
• IUPAC Name: N-(9,9-dimethylfluoren-3-yl)-9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-[9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-yl]phenyl]fluoren-2-amine
• SMILES: [2H]c1c([2H])c(N(c2ccc3c(c2)-c2ccccc2C3(C)C)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c([2H])c([2H])c1-c1ccc2c(c1)c1cc(C3(c4ccccc4)c4ccccc4-c4ccccc43)ccc1n2-c1ccccc1
• InChI: InChI=1S/C83H58N2/c1-81(2)73-35-19-15-34-68(73)70-53-63(46-48-74(70)81)84(64-45-47-69-67-33-18-20-36-75(67)82(78(69)54-64,57-23-7-3-8-24-57)58-25-9-4-10-26-58)62-43-39-55(40-44-62)56-41-49-79-71(51-56)72-52-60(42-50-80(72)85(79)61-29-13-6-14-30-61)83(59-27-11-5-12-28-59)76-37-21-16-31-65(76)66-32-17-22-38-77(66)83/h3-54H,1-2H3/i39D,40D,43D,44D
• InChIKey: BIOXUDCWOFWULL-AXSZNPEMSA-N
• XLogP: 20.95
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1087.42
LogP ≤ 5	20.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-3-yl)-9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-[9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-yl]phenyl]fluoren-2-amine?

The IUPAC name of N-(9,9-dimethylfluoren-3-yl)-9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-[9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-yl]phenyl]fluoren-2-amine (CID 167334044) is N-(9,9-dimethylfluoren-3-yl)-9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-[9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-yl]phenyl]fluoren-2-amine.

What is the SMILES notation for N-(9,9-dimethylfluoren-3-yl)-9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-[9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-yl]phenyl]fluoren-2-amine?

The canonical SMILES for N-(9,9-dimethylfluoren-3-yl)-9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-[9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-yl]phenyl]fluoren-2-amine is [2H]c1c([2H])c(N(c2ccc3c(c2)-c2ccccc2C3(C)C)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c([2H])c([2H])c1-c1ccc2c(c1)c1cc(C3(c4ccccc4)c4ccccc4-c4ccccc43)ccc1n2-c1ccccc1.

What is the InChIKey of N-(9,9-dimethylfluoren-3-yl)-9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-[9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-yl]phenyl]fluoren-2-amine?

The InChIKey is BIOXUDCWOFWULL-AXSZNPEMSA-N. The full InChI is InChI=1S/C83H58N2/c1-81(2)73-35-19-15-34-68(73)70-53-63(46-48-74(70)81)84(64-45-47-69-67-33-18-20-36-75(67)82(78(69)54-64,57-23-7-3-8-24-57)58-25-9-4-10-26-58)62-43-39-55(40-44-62)56-41-49-79-71(51-56)72-52-60(42-50-80(72)85(79)61-29-13-6-14-30-61)83(59-27-11-5-12-28-59)76-37-21-16-31-65(76)66-32-17-22-38-77(66)83/h3-54H,1-2H3/i39D,40D,43D,44D.

What are the key properties of N-(9,9-dimethylfluoren-3-yl)-9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-[9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-yl]phenyl]fluoren-2-amine?

N-(9,9-dimethylfluoren-3-yl)-9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-[9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-yl]phenyl]fluoren-2-amine has a molecular weight of 1087.42 g/mol, XLogP of 20.95, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(9,9-dimethylfluoren-3-yl)-9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-[9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-yl]phenyl]fluoren-2-amine is sourced from PubChem (CID 167334044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).