N-[4-(2,3-diphenylphenanthro[10,9-b]furan-9-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-4-amine

C75H49NO — CID 155105732

About N-[4-(2,3-diphenylphenanthro[10,9-b]furan-9-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-4-amine

N-[4-(2,3-diphenylphenanthro[10,9-b]furan-9-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-4-amine (PubChem CID 155105732) has the molecular formula C75H49NO and a molecular weight of 980.22 g/mol. Its IUPAC name is N-[4-(2,3-diphenylphenanthro[10,9-b]furan-9-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-4-amine.

Molecular Properties

• Compound Name: N-[4-(2,3-diphenylphenanthro[10,9-b]furan-9-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-4-amine
• PubChem CID: 155105732
• Molecular Formula: C75H49NO
• Molecular Weight: 980.22 g/mol
• Exact Mass: 979.38
• IUPAC Name: N-[4-(2,3-diphenylphenanthro[10,9-b]furan-9-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-4-amine
• SMILES: c1ccc(-c2oc3c4ccc(-c5ccc(N(c6ccc(-c7cccc8ccccc78)cc6)c6cccc7c6-c6ccccc6C7(c6ccccc6)c6ccccc6)cc5)cc4c4ccccc4c3c2-c2ccccc2)cc1
• InChI: InChI=1S/C75H49NO/c1-5-22-53(23-6-1)70-72-63-33-16-15-32-62(63)66-49-55(43-48-64(66)74(72)77-73(70)54-24-7-2-8-25-54)50-39-44-58(45-40-50)76(59-46-41-52(42-47-59)61-35-19-26-51-21-13-14-31-60(51)61)69-38-20-37-68-71(69)65-34-17-18-36-67(65)75(68,56-27-9-3-10-28-56)57-29-11-4-12-30-57/h1-49H
• InChIKey: GZYMCMFXNODTSU-UHFFFAOYSA-N
• XLogP: 20.39
• TPSA: 16.38 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	980.22
LogP ≤ 5	20.39
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-(2,3-diphenylphenanthro[10,9-b]furan-9-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-4-amine?

The IUPAC name of N-[4-(2,3-diphenylphenanthro[10,9-b]furan-9-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-4-amine (CID 155105732) is N-[4-(2,3-diphenylphenanthro[10,9-b]furan-9-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-4-amine.

What is the SMILES notation for N-[4-(2,3-diphenylphenanthro[10,9-b]furan-9-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-4-amine?

The canonical SMILES for N-[4-(2,3-diphenylphenanthro[10,9-b]furan-9-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-4-amine is c1ccc(-c2oc3c4ccc(-c5ccc(N(c6ccc(-c7cccc8ccccc78)cc6)c6cccc7c6-c6ccccc6C7(c6ccccc6)c6ccccc6)cc5)cc4c4ccccc4c3c2-c2ccccc2)cc1.

What is the InChIKey of N-[4-(2,3-diphenylphenanthro[10,9-b]furan-9-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-4-amine?

The InChIKey is GZYMCMFXNODTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H49NO/c1-5-22-53(23-6-1)70-72-63-33-16-15-32-62(63)66-49-55(43-48-64(66)74(72)77-73(70)54-24-7-2-8-25-54)50-39-44-58(45-40-50)76(59-46-41-52(42-47-59)61-35-19-26-51-21-13-14-31-60(51)61)69-38-20-37-68-71(69)65-34-17-18-36-67(65)75(68,56-27-9-3-10-28-56)57-29-11-4-12-30-57/h1-49H.

What are the key properties of N-[4-(2,3-diphenylphenanthro[10,9-b]furan-9-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-4-amine?

N-[4-(2,3-diphenylphenanthro[10,9-b]furan-9-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-4-amine has a molecular weight of 980.22 g/mol, XLogP of 20.39, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(2,3-diphenylphenanthro[10,9-b]furan-9-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-4-amine is sourced from PubChem (CID 155105732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).