10-naphthalen-2-yl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-[3-phenyl-4-(4-phenylphenyl)phenyl]phenanthren-9-amine

C73H49N — CID 155304543

About 10-naphthalen-2-yl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-[3-phenyl-4-(4-phenylphenyl)phenyl]phenanthren-9-amine

10-naphthalen-2-yl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-[3-phenyl-4-(4-phenylphenyl)phenyl]phenanthren-9-amine (PubChem CID 155304543) has the molecular formula C73H49N and a molecular weight of 940.20 g/mol. Its IUPAC name is 10-naphthalen-2-yl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-[3-phenyl-4-(4-phenylphenyl)phenyl]phenanthren-9-amine.

Molecular Properties

• Compound Name: 10-naphthalen-2-yl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-[3-phenyl-4-(4-phenylphenyl)phenyl]phenanthren-9-amine
• PubChem CID: 155304543
• Molecular Formula: C73H49N
• Molecular Weight: 940.20 g/mol
• Exact Mass: 939.39
• IUPAC Name: 10-naphthalen-2-yl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-[3-phenyl-4-(4-phenylphenyl)phenyl]phenanthren-9-amine
• SMILES: c1ccc(-c2ccc(-c3ccc(N(c4cccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)c4)c4c(-c5ccc6ccccc6c5)c5ccccc5c5ccccc45)cc3-c3ccccc3)cc2)cc1
• InChI: InChI=1S/C73H49N/c1-4-21-50(22-5-1)52-39-42-54(43-40-52)61-46-45-60(49-68(61)53-24-6-2-7-25-53)74(72-67-36-15-13-32-63(67)62-31-12-14-35-66(62)71(72)56-44-41-51-23-10-11-26-55(51)47-56)59-30-20-29-58(48-59)73(57-27-8-3-9-28-57)69-37-18-16-33-64(69)65-34-17-19-38-70(65)73/h1-49H
• InChIKey: OKZGHOVNBNGFQE-UHFFFAOYSA-N
• XLogP: 19.65
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 9
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	940.20
LogP ≤ 5	19.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 10-naphthalen-2-yl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-[3-phenyl-4-(4-phenylphenyl)phenyl]phenanthren-9-amine?

The IUPAC name of 10-naphthalen-2-yl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-[3-phenyl-4-(4-phenylphenyl)phenyl]phenanthren-9-amine (CID 155304543) is 10-naphthalen-2-yl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-[3-phenyl-4-(4-phenylphenyl)phenyl]phenanthren-9-amine.

What is the SMILES notation for 10-naphthalen-2-yl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-[3-phenyl-4-(4-phenylphenyl)phenyl]phenanthren-9-amine?

The canonical SMILES for 10-naphthalen-2-yl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-[3-phenyl-4-(4-phenylphenyl)phenyl]phenanthren-9-amine is c1ccc(-c2ccc(-c3ccc(N(c4cccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)c4)c4c(-c5ccc6ccccc6c5)c5ccccc5c5ccccc45)cc3-c3ccccc3)cc2)cc1.

What is the InChIKey of 10-naphthalen-2-yl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-[3-phenyl-4-(4-phenylphenyl)phenyl]phenanthren-9-amine?

The InChIKey is OKZGHOVNBNGFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H49N/c1-4-21-50(22-5-1)52-39-42-54(43-40-52)61-46-45-60(49-68(61)53-24-6-2-7-25-53)74(72-67-36-15-13-32-63(67)62-31-12-14-35-66(62)71(72)56-44-41-51-23-10-11-26-55(51)47-56)59-30-20-29-58(48-59)73(57-27-8-3-9-28-57)69-37-18-16-33-64(69)65-34-17-19-38-70(65)73/h1-49H.

What are the key properties of 10-naphthalen-2-yl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-[3-phenyl-4-(4-phenylphenyl)phenyl]phenanthren-9-amine?

10-naphthalen-2-yl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-[3-phenyl-4-(4-phenylphenyl)phenyl]phenanthren-9-amine has a molecular weight of 940.20 g/mol, XLogP of 19.65, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 10-naphthalen-2-yl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-[3-phenyl-4-(4-phenylphenyl)phenyl]phenanthren-9-amine is sourced from PubChem (CID 155304543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).