N-[4-[2-(9-phenanthren-9-ylcarbazol-3-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine

C69H46N2 — CID 118103067

About N-[4-[2-(9-phenanthren-9-ylcarbazol-3-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine

N-[4-[2-(9-phenanthren-9-ylcarbazol-3-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine (PubChem CID 118103067) has the molecular formula C69H46N2 and a molecular weight of 903.14 g/mol. Its IUPAC name is N-[4-[2-(9-phenanthren-9-ylcarbazol-3-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine.

Molecular Properties

• Compound Name: N-[4-[2-(9-phenanthren-9-ylcarbazol-3-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine
• PubChem CID: 118103067
• Molecular Formula: C69H46N2
• Molecular Weight: 903.14 g/mol
• Exact Mass: 902.37
• IUPAC Name: N-[4-[2-(9-phenanthren-9-ylcarbazol-3-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine
• SMILES: c1ccc(N(c2ccc(-c3ccccc3-c3ccc4c(c3)c3ccccc3n4-c3cc4ccccc4c4ccccc34)cc2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1
• InChI: InChI=1S/C69H46N2/c1-4-21-50(22-5-1)69(51-23-6-2-7-24-51)64-34-18-16-31-59(64)60-42-41-54(46-65(60)69)70(52-25-8-3-9-26-52)53-39-36-47(37-40-53)55-27-12-13-28-56(55)49-38-43-67-63(44-49)62-33-17-19-35-66(62)71(67)68-45-48-20-10-11-29-57(48)58-30-14-15-32-61(58)68/h1-46H
• InChIKey: YMIRMJBAKWQXQW-UHFFFAOYSA-N
• XLogP: 18.26
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	903.14
LogP ≤ 5	18.26
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-[4-[2-(9-phenanthren-9-ylcarbazol-3-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine?

The IUPAC name of N-[4-[2-(9-phenanthren-9-ylcarbazol-3-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine (CID 118103067) is N-[4-[2-(9-phenanthren-9-ylcarbazol-3-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine.

What is the SMILES notation for N-[4-[2-(9-phenanthren-9-ylcarbazol-3-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine?

The canonical SMILES for N-[4-[2-(9-phenanthren-9-ylcarbazol-3-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine is c1ccc(N(c2ccc(-c3ccccc3-c3ccc4c(c3)c3ccccc3n4-c3cc4ccccc4c4ccccc34)cc2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1.

What is the InChIKey of N-[4-[2-(9-phenanthren-9-ylcarbazol-3-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine?

The InChIKey is YMIRMJBAKWQXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H46N2/c1-4-21-50(22-5-1)69(51-23-6-2-7-24-51)64-34-18-16-31-59(64)60-42-41-54(46-65(60)69)70(52-25-8-3-9-26-52)53-39-36-47(37-40-53)55-27-12-13-28-56(55)49-38-43-67-63(44-49)62-33-17-19-35-66(62)71(67)68-45-48-20-10-11-29-57(48)58-30-14-15-32-61(58)68/h1-46H.

What are the key properties of N-[4-[2-(9-phenanthren-9-ylcarbazol-3-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine?

N-[4-[2-(9-phenanthren-9-ylcarbazol-3-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine has a molecular weight of 903.14 g/mol, XLogP of 18.26, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-(9-phenanthren-9-ylcarbazol-3-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine is sourced from PubChem (CID 118103067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).