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

C79H58N2 — CID 167334138

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

N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[9-phenyl-6-[4-(9-phenylfluoren-9-yl)phenyl]carbazol-3-yl]phenyl]fluoren-2-amine (PubChem CID 167334138) has the molecular formula C79H58N2 and a molecular weight of 1035.35 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[9-phenyl-6-[4-(9-phenylfluoren-9-yl)phenyl]carbazol-3-yl]phenyl]fluoren-2-amine.

Molecular Properties

• Compound Name: N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[9-phenyl-6-[4-(9-phenylfluoren-9-yl)phenyl]carbazol-3-yl]phenyl]fluoren-2-amine
• PubChem CID: 167334138
• Molecular Formula: C79H58N2
• Molecular Weight: 1035.35 g/mol
• Exact Mass: 1034.46
• IUPAC Name: N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[9-phenyl-6-[4-(9-phenylfluoren-9-yl)phenyl]carbazol-3-yl]phenyl]fluoren-2-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(c4)c4cc(-c6ccc(C7(c8ccccc8)c8ccccc8-c8ccccc87)cc6)ccc4n5-c4ccccc4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21
• InChI: InChI=1S/C79H58N2/c1-77(2)69-27-15-11-23-61(69)65-43-41-59(49-73(65)77)80(60-42-44-66-62-24-12-16-28-70(62)78(3,4)74(66)50-60)58-39-33-52(34-40-58)54-36-46-76-68(48-54)67-47-53(35-45-75(67)81(76)57-21-9-6-10-22-57)51-31-37-56(38-32-51)79(55-19-7-5-8-20-55)71-29-17-13-25-63(71)64-26-14-18-30-72(64)79/h5-50H,1-4H3
• InChIKey: VHABVVITWVCDSM-UHFFFAOYSA-N
• XLogP: 20.56
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1035.35
LogP ≤ 5	20.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

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

The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[9-phenyl-6-[4-(9-phenylfluoren-9-yl)phenyl]carbazol-3-yl]phenyl]fluoren-2-amine (CID 167334138) is N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[9-phenyl-6-[4-(9-phenylfluoren-9-yl)phenyl]carbazol-3-yl]phenyl]fluoren-2-amine.

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

The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[9-phenyl-6-[4-(9-phenylfluoren-9-yl)phenyl]carbazol-3-yl]phenyl]fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(c4)c4cc(-c6ccc(C7(c8ccccc8)c8ccccc8-c8ccccc87)cc6)ccc4n5-c4ccccc4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21.

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

The InChIKey is VHABVVITWVCDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C79H58N2/c1-77(2)69-27-15-11-23-61(69)65-43-41-59(49-73(65)77)80(60-42-44-66-62-24-12-16-28-70(62)78(3,4)74(66)50-60)58-39-33-52(34-40-58)54-36-46-76-68(48-54)67-47-53(35-45-75(67)81(76)57-21-9-6-10-22-57)51-31-37-56(38-32-51)79(55-19-7-5-8-20-55)71-29-17-13-25-63(71)64-26-14-18-30-72(64)79/h5-50H,1-4H3.

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

N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[9-phenyl-6-[4-(9-phenylfluoren-9-yl)phenyl]carbazol-3-yl]phenyl]fluoren-2-amine has a molecular weight of 1035.35 g/mol, XLogP of 20.56, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[9-phenyl-6-[4-(9-phenylfluoren-9-yl)phenyl]carbazol-3-yl]phenyl]fluoren-2-amine is sourced from PubChem (CID 167334138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).