9-[3-(3,5-diphenylphenyl)phenyl]-10-naphthalen-1-ylanthracene;1-[3,5-di(pyren-1-yl)phenyl]pyrene;9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)anthracene;9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene

C178H112 — CID 165107322

About 9-[3-(3,5-diphenylphenyl)phenyl]-10-naphthalen-1-ylanthracene;1-[3,5-di(pyren-1-yl)phenyl]pyrene;9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)anthracene;9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene

9-[3-(3,5-diphenylphenyl)phenyl]-10-naphthalen-1-ylanthracene;1-[3,5-di(pyren-1-yl)phenyl]pyrene;9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)anthracene;9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene (PubChem CID 165107322) has the molecular formula C178H112 and a molecular weight of 2250.85 g/mol. Its IUPAC name is 9-[3-(3,5-diphenylphenyl)phenyl]-10-naphthalen-1-ylanthracene;1-[3,5-di(pyren-1-yl)phenyl]pyrene;9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)anthracene;9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene.

Molecular Properties

• Compound Name: 9-[3-(3,5-diphenylphenyl)phenyl]-10-naphthalen-1-ylanthracene;1-[3,5-di(pyren-1-yl)phenyl]pyrene;9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)anthracene;9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene
• PubChem CID: 165107322
• Molecular Formula: C178H112
• Molecular Weight: 2250.85 g/mol
• Exact Mass: 2248.88
• IUPAC Name: 9-[3-(3,5-diphenylphenyl)phenyl]-10-naphthalen-1-ylanthracene;1-[3,5-di(pyren-1-yl)phenyl]pyrene;9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)anthracene;9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene
• SMILES: c1cc2ccc3ccc(-c4cc(-c5ccc6ccc7cccc8ccc5c6c78)cc(-c5ccc6ccc7cccc8ccc5c6c78)c4)c4ccc(c1)c2c34.c1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)c3)c2)cc1.c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)c3ccccc23)cc1.c1ccc2cc(-c3ccc(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)cc3)ccc2c1
• InChI: InChI=1S/C54H30.C48H32.C40H26.C36H24/c1-4-31-10-13-37-16-22-43(46-25-19-34(7-1)49(31)52(37)46)40-28-41(44-23-17-38-14-11-32-5-2-8-35-20-26-47(44)53(38)50(32)35)30-42(29-40)45-24-18-39-15-12-33-6-3-9-36-21-27-48(45)54(39)51(33)36;1-3-15-33(16-4-1)38-30-39(34-17-5-2-6-18-34)32-40(31-38)36-21-13-22-37(29-36)47-43-24-9-11-26-45(43)48(46-27-12-10-25-44(46)47)42-28-14-20-35-19-7-8-23-41(35)42;1-2-12-31-26-32(25-22-27(31)10-1)28-20-23-30(24-21-28)39-35-15-5-7-17-37(35)40(38-18-8-6-16-36(38)39)34-19-9-13-29-11-3-4-14-33(29)34;1-3-13-25(14-4-1)27-23-24-34(29-18-8-7-17-28(27)29)36-32-21-11-9-19-30(32)35(26-15-5-2-6-16-26)31-20-10-12-22-33(31)36/h1-30H;1-32H;1-26H;1-24H
• InChIKey: ZIZLFWNXZAHWAF-UHFFFAOYSA-N
• XLogP: 50.31
• TPSA: 0.00 Ų
• Rotatable Bonds: 14
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2250.85
LogP ≤ 5	50.31
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-(3,5-diphenylphenyl)phenyl]-10-naphthalen-1-ylanthracene;1-[3,5-di(pyren-1-yl)phenyl]pyrene;9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)anthracene;9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene?

The IUPAC name of 9-[3-(3,5-diphenylphenyl)phenyl]-10-naphthalen-1-ylanthracene;1-[3,5-di(pyren-1-yl)phenyl]pyrene;9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)anthracene;9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene (CID 165107322) is 9-[3-(3,5-diphenylphenyl)phenyl]-10-naphthalen-1-ylanthracene;1-[3,5-di(pyren-1-yl)phenyl]pyrene;9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)anthracene;9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene.

What is the SMILES notation for 9-[3-(3,5-diphenylphenyl)phenyl]-10-naphthalen-1-ylanthracene;1-[3,5-di(pyren-1-yl)phenyl]pyrene;9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)anthracene;9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene?

The canonical SMILES for 9-[3-(3,5-diphenylphenyl)phenyl]-10-naphthalen-1-ylanthracene;1-[3,5-di(pyren-1-yl)phenyl]pyrene;9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)anthracene;9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene is c1cc2ccc3ccc(-c4cc(-c5ccc6ccc7cccc8ccc5c6c78)cc(-c5ccc6ccc7cccc8ccc5c6c78)c4)c4ccc(c1)c2c34.c1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)c3)c2)cc1.c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)c3ccccc23)cc1.c1ccc2cc(-c3ccc(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)cc3)ccc2c1.

What is the InChIKey of 9-[3-(3,5-diphenylphenyl)phenyl]-10-naphthalen-1-ylanthracene;1-[3,5-di(pyren-1-yl)phenyl]pyrene;9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)anthracene;9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene?

The InChIKey is ZIZLFWNXZAHWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H30.C48H32.C40H26.C36H24/c1-4-31-10-13-37-16-22-43(46-25-19-34(7-1)49(31)52(37)46)40-28-41(44-23-17-38-14-11-32-5-2-8-35-20-26-47(44)53(38)50(32)35)30-42(29-40)45-24-18-39-15-12-33-6-3-9-36-21-27-48(45)54(39)51(33)36;1-3-15-33(16-4-1)38-30-39(34-17-5-2-6-18-34)32-40(31-38)36-21-13-22-37(29-36)47-43-24-9-11-26-45(43)48(46-27-12-10-25-44(46)47)42-28-14-20-35-19-7-8-23-41(35)42;1-2-12-31-26-32(25-22-27(31)10-1)28-20-23-30(24-21-28)39-35-15-5-7-17-37(35)40(38-18-8-6-16-36(38)39)34-19-9-13-29-11-3-4-14-33(29)34;1-3-13-25(14-4-1)27-23-24-34(29-18-8-7-17-28(27)29)36-32-21-11-9-19-30(32)35(26-15-5-2-6-16-26)31-20-10-12-22-33(31)36/h1-30H;1-32H;1-26H;1-24H.

What are the key properties of 9-[3-(3,5-diphenylphenyl)phenyl]-10-naphthalen-1-ylanthracene;1-[3,5-di(pyren-1-yl)phenyl]pyrene;9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)anthracene;9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene?

9-[3-(3,5-diphenylphenyl)phenyl]-10-naphthalen-1-ylanthracene;1-[3,5-di(pyren-1-yl)phenyl]pyrene;9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)anthracene;9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene has a molecular weight of 2250.85 g/mol, XLogP of 50.31, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[3-(3,5-diphenylphenyl)phenyl]-10-naphthalen-1-ylanthracene;1-[3,5-di(pyren-1-yl)phenyl]pyrene;9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)anthracene;9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene is sourced from PubChem (CID 165107322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).