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

C72H50N2 — CID 167214737

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

N-(9,9-dimethylfluoren-2-yl)-N-[4-[9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-yl]phenyl]phenanthren-2-amine (PubChem CID 167214737) has the molecular formula C72H50N2 and a molecular weight of 943.21 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-[4-[9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-yl]phenyl]phenanthren-2-amine.

Molecular Properties

• Compound Name: N-(9,9-dimethylfluoren-2-yl)-N-[4-[9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-yl]phenyl]phenanthren-2-amine
• PubChem CID: 167214737
• Molecular Formula: C72H50N2
• Molecular Weight: 943.21 g/mol
• Exact Mass: 942.40
• IUPAC Name: N-(9,9-dimethylfluoren-2-yl)-N-[4-[9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-yl]phenyl]phenanthren-2-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(c4)c4cc(C6(c7ccccc7)c7ccccc7-c7ccccc76)ccc4n5-c4ccccc4)cc3)c3ccc4c(ccc5ccccc54)c3)cc21
• InChI: InChI=1S/C72H50N2/c1-71(2)65-26-14-11-23-59(65)62-40-38-56(46-68(62)71)73(55-37-39-58-50(43-55)30-29-48-17-9-10-22-57(48)58)54-35-31-47(32-36-54)49-33-41-69-63(44-49)64-45-52(34-42-70(64)74(69)53-20-7-4-8-21-53)72(51-18-5-3-6-19-51)66-27-15-12-24-60(66)61-25-13-16-28-67(61)72/h3-46H,1-2H3
• InChIKey: RVMGYLHNFNHBCP-UHFFFAOYSA-N
• XLogP: 18.90
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	943.21
LogP ≤ 5	18.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-[4-[9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-yl]phenyl]phenanthren-2-amine (CID 167214737) is N-(9,9-dimethylfluoren-2-yl)-N-[4-[9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-yl]phenyl]phenanthren-2-amine.

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

The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-[4-[9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-yl]phenyl]phenanthren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(c4)c4cc(C6(c7ccccc7)c7ccccc7-c7ccccc76)ccc4n5-c4ccccc4)cc3)c3ccc4c(ccc5ccccc54)c3)cc21.

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

The InChIKey is RVMGYLHNFNHBCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H50N2/c1-71(2)65-26-14-11-23-59(65)62-40-38-56(46-68(62)71)73(55-37-39-58-50(43-55)30-29-48-17-9-10-22-57(48)58)54-35-31-47(32-36-54)49-33-41-69-63(44-49)64-45-52(34-42-70(64)74(69)53-20-7-4-8-21-53)72(51-18-5-3-6-19-51)66-27-15-12-24-60(66)61-25-13-16-28-67(61)72/h3-46H,1-2H3.

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

N-(9,9-dimethylfluoren-2-yl)-N-[4-[9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-yl]phenyl]phenanthren-2-amine has a molecular weight of 943.21 g/mol, XLogP of 18.90, 7 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)-N-[4-[9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-yl]phenyl]phenanthren-2-amine is sourced from PubChem (CID 167214737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).