9-(3-phenanthren-9-ylphenyl)-10-(3-phenylphenyl)anthracene;9-(4-phenanthren-9-ylphenyl)-10-(3-phenylphenyl)anthracene;1-[2-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]pyrene

C140H90 — CID 165031655

About 9-(3-phenanthren-9-ylphenyl)-10-(3-phenylphenyl)anthracene;9-(4-phenanthren-9-ylphenyl)-10-(3-phenylphenyl)anthracene;1-[2-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]pyrene

9-(3-phenanthren-9-ylphenyl)-10-(3-phenylphenyl)anthracene;9-(4-phenanthren-9-ylphenyl)-10-(3-phenylphenyl)anthracene;1-[2-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]pyrene (PubChem CID 165031655) has the molecular formula C140H90 and a molecular weight of 1772.26 g/mol. Its IUPAC name is 9-(3-phenanthren-9-ylphenyl)-10-(3-phenylphenyl)anthracene;9-(4-phenanthren-9-ylphenyl)-10-(3-phenylphenyl)anthracene;1-[2-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]pyrene.

Molecular Properties

• Compound Name: 9-(3-phenanthren-9-ylphenyl)-10-(3-phenylphenyl)anthracene;9-(4-phenanthren-9-ylphenyl)-10-(3-phenylphenyl)anthracene;1-[2-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]pyrene
• PubChem CID: 165031655
• Molecular Formula: C140H90
• Molecular Weight: 1772.26 g/mol
• Exact Mass: 1770.70
• IUPAC Name: 9-(3-phenanthren-9-ylphenyl)-10-(3-phenylphenyl)anthracene;9-(4-phenanthren-9-ylphenyl)-10-(3-phenylphenyl)anthracene;1-[2-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]pyrene
• SMILES: c1ccc(-c2cccc(-c3c4ccccc4c(-c4ccc(-c5cc6ccccc6c6ccccc56)cc4)c4ccccc34)c2)cc1.c1ccc(-c2cccc(-c3c4ccccc4c(-c4cccc(-c5cc6ccccc6c6ccccc56)c4)c4ccccc34)c2)cc1.c1ccc(-c2cccc(-c3c4ccccc4c(-c4ccccc4-c4ccc5ccc6cccc7ccc4c5c67)c4ccccc34)c2)cc1
• InChI: InChI=1S/C48H30.2C46H30/c1-2-12-31(13-3-1)35-16-11-17-36(30-35)46-40-20-6-8-22-42(40)48(43-23-9-7-21-41(43)46)39-19-5-4-18-37(39)38-28-26-34-25-24-32-14-10-15-33-27-29-44(38)47(34)45(32)33;1-2-14-31(15-3-1)32-17-12-19-35(28-32)45-40-24-8-10-26-42(40)46(43-27-11-9-25-41(43)45)36-20-13-18-33(29-36)44-30-34-16-4-5-21-37(34)38-22-6-7-23-39(38)44;1-2-13-31(14-3-1)34-16-12-17-36(29-34)46-42-23-10-8-21-40(42)45(41-22-9-11-24-43(41)46)33-27-25-32(26-28-33)44-30-35-15-4-5-18-37(35)38-19-6-7-20-39(38)44/h1-30H;2*1-30H
• InChIKey: MTCTUERSGLEBPP-UHFFFAOYSA-N
• XLogP: 39.49
• TPSA: 0.00 Ų
• Rotatable Bonds: 12
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1772.26
LogP ≤ 5	39.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-(3-phenanthren-9-ylphenyl)-10-(3-phenylphenyl)anthracene;9-(4-phenanthren-9-ylphenyl)-10-(3-phenylphenyl)anthracene;1-[2-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]pyrene?

The IUPAC name of 9-(3-phenanthren-9-ylphenyl)-10-(3-phenylphenyl)anthracene;9-(4-phenanthren-9-ylphenyl)-10-(3-phenylphenyl)anthracene;1-[2-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]pyrene (CID 165031655) is 9-(3-phenanthren-9-ylphenyl)-10-(3-phenylphenyl)anthracene;9-(4-phenanthren-9-ylphenyl)-10-(3-phenylphenyl)anthracene;1-[2-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]pyrene.

What is the SMILES notation for 9-(3-phenanthren-9-ylphenyl)-10-(3-phenylphenyl)anthracene;9-(4-phenanthren-9-ylphenyl)-10-(3-phenylphenyl)anthracene;1-[2-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]pyrene?

The canonical SMILES for 9-(3-phenanthren-9-ylphenyl)-10-(3-phenylphenyl)anthracene;9-(4-phenanthren-9-ylphenyl)-10-(3-phenylphenyl)anthracene;1-[2-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]pyrene is c1ccc(-c2cccc(-c3c4ccccc4c(-c4ccc(-c5cc6ccccc6c6ccccc56)cc4)c4ccccc34)c2)cc1.c1ccc(-c2cccc(-c3c4ccccc4c(-c4cccc(-c5cc6ccccc6c6ccccc56)c4)c4ccccc34)c2)cc1.c1ccc(-c2cccc(-c3c4ccccc4c(-c4ccccc4-c4ccc5ccc6cccc7ccc4c5c67)c4ccccc34)c2)cc1.

What is the InChIKey of 9-(3-phenanthren-9-ylphenyl)-10-(3-phenylphenyl)anthracene;9-(4-phenanthren-9-ylphenyl)-10-(3-phenylphenyl)anthracene;1-[2-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]pyrene?

The InChIKey is MTCTUERSGLEBPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30.2C46H30/c1-2-12-31(13-3-1)35-16-11-17-36(30-35)46-40-20-6-8-22-42(40)48(43-23-9-7-21-41(43)46)39-19-5-4-18-37(39)38-28-26-34-25-24-32-14-10-15-33-27-29-44(38)47(34)45(32)33;1-2-14-31(15-3-1)32-17-12-19-35(28-32)45-40-24-8-10-26-42(40)46(43-27-11-9-25-41(43)45)36-20-13-18-33(29-36)44-30-34-16-4-5-21-37(34)38-22-6-7-23-39(38)44;1-2-13-31(14-3-1)34-16-12-17-36(29-34)46-42-23-10-8-21-40(42)45(41-22-9-11-24-43(41)46)33-27-25-32(26-28-33)44-30-35-15-4-5-18-37(35)38-19-6-7-20-39(38)44/h1-30H;2*1-30H.

What are the key properties of 9-(3-phenanthren-9-ylphenyl)-10-(3-phenylphenyl)anthracene;9-(4-phenanthren-9-ylphenyl)-10-(3-phenylphenyl)anthracene;1-[2-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]pyrene?

9-(3-phenanthren-9-ylphenyl)-10-(3-phenylphenyl)anthracene;9-(4-phenanthren-9-ylphenyl)-10-(3-phenylphenyl)anthracene;1-[2-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]pyrene has a molecular weight of 1772.26 g/mol, XLogP of 39.49, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(3-phenanthren-9-ylphenyl)-10-(3-phenylphenyl)anthracene;9-(4-phenanthren-9-ylphenyl)-10-(3-phenylphenyl)anthracene;1-[2-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]pyrene is sourced from PubChem (CID 165031655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).