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

C100H68N2 — CID 155304845

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

10-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]-N-[4-[3-[3-[10-(N-[4-(2-phenylphenyl)phenyl]anilino)phenanthren-9-yl]phenyl]phenyl]phenyl]phenanthren-9-amine (PubChem CID 155304845) has the molecular formula C100H68N2 and a molecular weight of 1297.66 g/mol. Its IUPAC name is 10-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]-N-[4-[3-[3-[10-(N-[4-(2-phenylphenyl)phenyl]anilino)phenanthren-9-yl]phenyl]phenyl]phenyl]phenanthren-9-amine.

Molecular Properties

• Compound Name: 10-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]-N-[4-[3-[3-[10-(N-[4-(2-phenylphenyl)phenyl]anilino)phenanthren-9-yl]phenyl]phenyl]phenyl]phenanthren-9-amine
• PubChem CID: 155304845
• Molecular Formula: C100H68N2
• Molecular Weight: 1297.66 g/mol
• Exact Mass: 1296.54
• IUPAC Name: 10-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]-N-[4-[3-[3-[10-(N-[4-(2-phenylphenyl)phenyl]anilino)phenanthren-9-yl]phenyl]phenyl]phenyl]phenanthren-9-amine
• SMILES: c1ccc(-c2ccc(-c3c(N(c4ccc(-c5cccc(-c6ccccc6)c5)cc4)c4ccc(-c5cccc(-c6cccc(-c7c(N(c8ccccc8)c8ccc(-c9ccccc9-c9ccccc9)cc8)c8ccccc8c8ccccc78)c6)c5)cc4)c4ccccc4c4ccccc34)cc2)cc1
• InChI: InChI=1S/C100H68N2/c1-5-26-69(27-6-1)71-50-52-76(53-51-71)97-93-46-19-15-42-89(93)91-44-17-21-48-95(91)99(97)102(84-60-54-72(55-61-84)78-33-23-32-77(66-78)70-28-7-2-8-29-70)85-62-56-73(57-63-85)79-34-24-35-80(67-79)81-36-25-37-82(68-81)98-94-47-20-16-43-90(94)92-45-18-22-49-96(92)100(98)101(83-38-11-4-12-39-83)86-64-58-75(59-65-86)88-41-14-13-40-87(88)74-30-9-3-10-31-74/h1-68H
• InChIKey: FLMWHZWQXDILCO-UHFFFAOYSA-N
• XLogP: 28.24
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 15
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1297.66
LogP ≤ 5	28.24
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 10-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]-N-[4-[3-[3-[10-(N-[4-(2-phenylphenyl)phenyl]anilino)phenanthren-9-yl]phenyl]phenyl]phenyl]phenanthren-9-amine?

The IUPAC name of 10-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]-N-[4-[3-[3-[10-(N-[4-(2-phenylphenyl)phenyl]anilino)phenanthren-9-yl]phenyl]phenyl]phenyl]phenanthren-9-amine (CID 155304845) is 10-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]-N-[4-[3-[3-[10-(N-[4-(2-phenylphenyl)phenyl]anilino)phenanthren-9-yl]phenyl]phenyl]phenyl]phenanthren-9-amine.

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

The canonical SMILES for 10-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]-N-[4-[3-[3-[10-(N-[4-(2-phenylphenyl)phenyl]anilino)phenanthren-9-yl]phenyl]phenyl]phenyl]phenanthren-9-amine is c1ccc(-c2ccc(-c3c(N(c4ccc(-c5cccc(-c6ccccc6)c5)cc4)c4ccc(-c5cccc(-c6cccc(-c7c(N(c8ccccc8)c8ccc(-c9ccccc9-c9ccccc9)cc8)c8ccccc8c8ccccc78)c6)c5)cc4)c4ccccc4c4ccccc34)cc2)cc1.

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

The InChIKey is FLMWHZWQXDILCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C100H68N2/c1-5-26-69(27-6-1)71-50-52-76(53-51-71)97-93-46-19-15-42-89(93)91-44-17-21-48-95(91)99(97)102(84-60-54-72(55-61-84)78-33-23-32-77(66-78)70-28-7-2-8-29-70)85-62-56-73(57-63-85)79-34-24-35-80(67-79)81-36-25-37-82(68-81)98-94-47-20-16-43-90(94)92-45-18-22-49-96(92)100(98)101(83-38-11-4-12-39-83)86-64-58-75(59-65-86)88-41-14-13-40-87(88)74-30-9-3-10-31-74/h1-68H.

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

10-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]-N-[4-[3-[3-[10-(N-[4-(2-phenylphenyl)phenyl]anilino)phenanthren-9-yl]phenyl]phenyl]phenyl]phenanthren-9-amine has a molecular weight of 1297.66 g/mol, XLogP of 28.24, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 10-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]-N-[4-[3-[3-[10-(N-[4-(2-phenylphenyl)phenyl]anilino)phenanthren-9-yl]phenyl]phenyl]phenyl]phenanthren-9-amine is sourced from PubChem (CID 155304845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).