9-(3,5-diphenylphenyl)-10-naphthalen-1-ylanthracene;4-(10-naphthalen-2-ylanthracen-9-yl)pyrene;9-(4-naphthalen-1-ylphenyl)-10-phenylanthracene;4-(10-phenylanthracen-9-yl)pyrene

C154H98 — CID 158348352

About 9-(3,5-diphenylphenyl)-10-naphthalen-1-ylanthracene;4-(10-naphthalen-2-ylanthracen-9-yl)pyrene;9-(4-naphthalen-1-ylphenyl)-10-phenylanthracene;4-(10-phenylanthracen-9-yl)pyrene

9-(3,5-diphenylphenyl)-10-naphthalen-1-ylanthracene;4-(10-naphthalen-2-ylanthracen-9-yl)pyrene;9-(4-naphthalen-1-ylphenyl)-10-phenylanthracene;4-(10-phenylanthracen-9-yl)pyrene (PubChem CID 158348352) has the molecular formula C154H98 and a molecular weight of 1948.48 g/mol. Its IUPAC name is 9-(3,5-diphenylphenyl)-10-naphthalen-1-ylanthracene;4-(10-naphthalen-2-ylanthracen-9-yl)pyrene;9-(4-naphthalen-1-ylphenyl)-10-phenylanthracene;4-(10-phenylanthracen-9-yl)pyrene.

Molecular Properties

• Compound Name: 9-(3,5-diphenylphenyl)-10-naphthalen-1-ylanthracene;4-(10-naphthalen-2-ylanthracen-9-yl)pyrene;9-(4-naphthalen-1-ylphenyl)-10-phenylanthracene;4-(10-phenylanthracen-9-yl)pyrene
• PubChem CID: 158348352
• Molecular Formula: C154H98
• Molecular Weight: 1948.48 g/mol
• Exact Mass: 1946.77
• IUPAC Name: 9-(3,5-diphenylphenyl)-10-naphthalen-1-ylanthracene;4-(10-naphthalen-2-ylanthracen-9-yl)pyrene;9-(4-naphthalen-1-ylphenyl)-10-phenylanthracene;4-(10-phenylanthracen-9-yl)pyrene
• SMILES: c1ccc(-c2c3ccccc3c(-c3cc4cccc5ccc6cccc3c6c54)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccc(-c4cccc5ccccc45)cc3)c3ccccc23)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)c2)cc1.c1ccc2cc(-c3c4ccccc4c(-c4cc5cccc6ccc7cccc4c7c65)c4ccccc34)ccc2c1
• InChI: InChI=1S/C42H28.C40H24.C36H22.C36H24/c1-3-14-29(15-4-1)32-26-33(30-16-5-2-6-17-30)28-34(27-32)41-37-21-9-11-23-39(37)42(40-24-12-10-22-38(40)41)36-25-13-19-31-18-7-8-20-35(31)36;1-2-10-28-23-30(22-19-25(28)9-1)38-31-14-3-5-16-33(31)40(34-17-6-4-15-32(34)38)36-24-29-13-7-11-26-20-21-27-12-8-18-35(36)39(27)37(26)29;1-2-10-23(11-3-1)34-27-15-4-6-17-29(27)36(30-18-7-5-16-28(30)34)32-22-26-14-8-12-24-20-21-25-13-9-19-31(32)35(25)33(24)26;1-2-12-27(13-3-1)35-31-16-6-8-18-33(31)36(34-19-9-7-17-32(34)35)28-23-21-26(22-24-28)30-20-10-14-25-11-4-5-15-29(25)30/h1-28H;1-24H;1-22H;1-24H
• InChIKey: GRZXSTOEIOCPEY-UHFFFAOYSA-N
• XLogP: 43.56
• TPSA: 0.00 Ų
• Rotatable Bonds: 11
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1948.48
LogP ≤ 5	43.56
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-(3,5-diphenylphenyl)-10-naphthalen-1-ylanthracene;4-(10-naphthalen-2-ylanthracen-9-yl)pyrene;9-(4-naphthalen-1-ylphenyl)-10-phenylanthracene;4-(10-phenylanthracen-9-yl)pyrene?

The IUPAC name of 9-(3,5-diphenylphenyl)-10-naphthalen-1-ylanthracene;4-(10-naphthalen-2-ylanthracen-9-yl)pyrene;9-(4-naphthalen-1-ylphenyl)-10-phenylanthracene;4-(10-phenylanthracen-9-yl)pyrene (CID 158348352) is 9-(3,5-diphenylphenyl)-10-naphthalen-1-ylanthracene;4-(10-naphthalen-2-ylanthracen-9-yl)pyrene;9-(4-naphthalen-1-ylphenyl)-10-phenylanthracene;4-(10-phenylanthracen-9-yl)pyrene.

What is the SMILES notation for 9-(3,5-diphenylphenyl)-10-naphthalen-1-ylanthracene;4-(10-naphthalen-2-ylanthracen-9-yl)pyrene;9-(4-naphthalen-1-ylphenyl)-10-phenylanthracene;4-(10-phenylanthracen-9-yl)pyrene?

The canonical SMILES for 9-(3,5-diphenylphenyl)-10-naphthalen-1-ylanthracene;4-(10-naphthalen-2-ylanthracen-9-yl)pyrene;9-(4-naphthalen-1-ylphenyl)-10-phenylanthracene;4-(10-phenylanthracen-9-yl)pyrene is c1ccc(-c2c3ccccc3c(-c3cc4cccc5ccc6cccc3c6c54)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccc(-c4cccc5ccccc45)cc3)c3ccccc23)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)c2)cc1.c1ccc2cc(-c3c4ccccc4c(-c4cc5cccc6ccc7cccc4c7c65)c4ccccc34)ccc2c1.

What is the InChIKey of 9-(3,5-diphenylphenyl)-10-naphthalen-1-ylanthracene;4-(10-naphthalen-2-ylanthracen-9-yl)pyrene;9-(4-naphthalen-1-ylphenyl)-10-phenylanthracene;4-(10-phenylanthracen-9-yl)pyrene?

The InChIKey is GRZXSTOEIOCPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28.C40H24.C36H22.C36H24/c1-3-14-29(15-4-1)32-26-33(30-16-5-2-6-17-30)28-34(27-32)41-37-21-9-11-23-39(37)42(40-24-12-10-22-38(40)41)36-25-13-19-31-18-7-8-20-35(31)36;1-2-10-28-23-30(22-19-25(28)9-1)38-31-14-3-5-16-33(31)40(34-17-6-4-15-32(34)38)36-24-29-13-7-11-26-20-21-27-12-8-18-35(36)39(27)37(26)29;1-2-10-23(11-3-1)34-27-15-4-6-17-29(27)36(30-18-7-5-16-28(30)34)32-22-26-14-8-12-24-20-21-25-13-9-19-31(32)35(25)33(24)26;1-2-12-27(13-3-1)35-31-16-6-8-18-33(31)36(34-19-9-7-17-32(34)35)28-23-21-26(22-24-28)30-20-10-14-25-11-4-5-15-29(25)30/h1-28H;1-24H;1-22H;1-24H.

What are the key properties of 9-(3,5-diphenylphenyl)-10-naphthalen-1-ylanthracene;4-(10-naphthalen-2-ylanthracen-9-yl)pyrene;9-(4-naphthalen-1-ylphenyl)-10-phenylanthracene;4-(10-phenylanthracen-9-yl)pyrene?

9-(3,5-diphenylphenyl)-10-naphthalen-1-ylanthracene;4-(10-naphthalen-2-ylanthracen-9-yl)pyrene;9-(4-naphthalen-1-ylphenyl)-10-phenylanthracene;4-(10-phenylanthracen-9-yl)pyrene has a molecular weight of 1948.48 g/mol, XLogP of 43.56, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(3,5-diphenylphenyl)-10-naphthalen-1-ylanthracene;4-(10-naphthalen-2-ylanthracen-9-yl)pyrene;9-(4-naphthalen-1-ylphenyl)-10-phenylanthracene;4-(10-phenylanthracen-9-yl)pyrene is sourced from PubChem (CID 158348352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).