9,10-bis(3-naphthalen-1-ylphenyl)anthracene;9,10-bis(3-naphthalen-2-ylphenyl)anthracene;9,10-bis(4-naphthalen-1-ylphenyl)anthracene;9,10-bis(4-naphthalen-2-ylphenyl)anthracene;9-(3-naphthalen-2-ylphenyl)-10-phenanthren-9-ylanthracene

C228H148 — CID 163943634

About 9,10-bis(3-naphthalen-1-ylphenyl)anthracene;9,10-bis(3-naphthalen-2-ylphenyl)anthracene;9,10-bis(4-naphthalen-1-ylphenyl)anthracene;9,10-bis(4-naphthalen-2-ylphenyl)anthracene;9-(3-naphthalen-2-ylphenyl)-10-phenanthren-9-ylanthracene

9,10-bis(3-naphthalen-1-ylphenyl)anthracene;9,10-bis(3-naphthalen-2-ylphenyl)anthracene;9,10-bis(4-naphthalen-1-ylphenyl)anthracene;9,10-bis(4-naphthalen-2-ylphenyl)anthracene;9-(3-naphthalen-2-ylphenyl)-10-phenanthren-9-ylanthracene (PubChem CID 163943634) has the molecular formula C228H148 and a molecular weight of 2887.69 g/mol. Its IUPAC name is 9,10-bis(3-naphthalen-1-ylphenyl)anthracene;9,10-bis(3-naphthalen-2-ylphenyl)anthracene;9,10-bis(4-naphthalen-1-ylphenyl)anthracene;9,10-bis(4-naphthalen-2-ylphenyl)anthracene;9-(3-naphthalen-2-ylphenyl)-10-phenanthren-9-ylanthracene.

Molecular Properties

• Compound Name: 9,10-bis(3-naphthalen-1-ylphenyl)anthracene;9,10-bis(3-naphthalen-2-ylphenyl)anthracene;9,10-bis(4-naphthalen-1-ylphenyl)anthracene;9,10-bis(4-naphthalen-2-ylphenyl)anthracene;9-(3-naphthalen-2-ylphenyl)-10-phenanthren-9-ylanthracene
• PubChem CID: 163943634
• Molecular Formula: C228H148
• Molecular Weight: 2887.69 g/mol
• Exact Mass: 2885.16
• IUPAC Name: 9,10-bis(3-naphthalen-1-ylphenyl)anthracene;9,10-bis(3-naphthalen-2-ylphenyl)anthracene;9,10-bis(4-naphthalen-1-ylphenyl)anthracene;9,10-bis(4-naphthalen-2-ylphenyl)anthracene;9-(3-naphthalen-2-ylphenyl)-10-phenanthren-9-ylanthracene
• SMILES: c1cc(-c2ccc3ccccc3c2)cc(-c2c3ccccc3c(-c3cc4ccccc4c4ccccc34)c3ccccc23)c1.c1cc(-c2ccc3ccccc3c2)cc(-c2c3ccccc3c(-c3cccc(-c4ccc5ccccc5c4)c3)c3ccccc23)c1.c1cc(-c2cccc3ccccc23)cc(-c2c3ccccc3c(-c3cccc(-c4cccc5ccccc45)c3)c3ccccc23)c1.c1ccc2c(-c3ccc(-c4c5ccccc5c(-c5ccc(-c6cccc7ccccc67)cc5)c5ccccc45)cc3)cccc2c1.c1ccc2cc(-c3ccc(-c4c5ccccc5c(-c5ccc(-c6ccc7ccccc7c6)cc5)c5ccccc45)cc3)ccc2c1
• InChI: InChI=1S/4C46H30.C44H28/c1-3-21-37-31(13-1)15-11-27-39(37)33-17-9-19-35(29-33)45-41-23-5-7-25-43(41)46(44-26-8-6-24-42(44)45)36-20-10-18-34(30-36)40-28-12-16-32-14-2-4-22-38(32)40;1-3-15-37-31(11-1)13-9-21-39(37)33-23-27-35(28-24-33)45-41-17-5-7-19-43(41)46(44-20-8-6-18-42(44)45)36-29-25-34(26-30-36)40-22-10-14-32-12-2-4-16-38(32)40;1-3-13-33-27-37(25-23-31(33)11-1)35-15-9-17-39(29-35)45-41-19-5-7-21-43(41)46(44-22-8-6-20-42(44)45)40-18-10-16-36(30-40)38-26-24-32-12-2-4-14-34(32)28-38;1-3-11-37-29-39(27-21-31(37)9-1)33-17-23-35(24-18-33)45-41-13-5-7-15-43(41)46(44-16-8-6-14-42(44)45)36-25-19-34(20-26-36)40-28-22-32-10-2-4-12-38(32)30-40;1-2-13-30-26-32(25-24-29(30)12-1)31-15-11-16-34(27-31)43-38-20-7-9-22-40(38)44(41-23-10-8-21-39(41)43)42-28-33-14-3-4-17-35(33)36-18-5-6-19-37(36)42/h4*1-30H;1-28H
• InChIKey: RTEWPGPFHWCBGX-UHFFFAOYSA-N
• XLogP: 64.32
• TPSA: 0.00 Ų
• Rotatable Bonds: 19
• Heavy Atoms: 228
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2887.69
LogP ≤ 5	64.32
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 9,10-bis(3-naphthalen-1-ylphenyl)anthracene;9,10-bis(3-naphthalen-2-ylphenyl)anthracene;9,10-bis(4-naphthalen-1-ylphenyl)anthracene;9,10-bis(4-naphthalen-2-ylphenyl)anthracene;9-(3-naphthalen-2-ylphenyl)-10-phenanthren-9-ylanthracene?

The IUPAC name of 9,10-bis(3-naphthalen-1-ylphenyl)anthracene;9,10-bis(3-naphthalen-2-ylphenyl)anthracene;9,10-bis(4-naphthalen-1-ylphenyl)anthracene;9,10-bis(4-naphthalen-2-ylphenyl)anthracene;9-(3-naphthalen-2-ylphenyl)-10-phenanthren-9-ylanthracene (CID 163943634) is 9,10-bis(3-naphthalen-1-ylphenyl)anthracene;9,10-bis(3-naphthalen-2-ylphenyl)anthracene;9,10-bis(4-naphthalen-1-ylphenyl)anthracene;9,10-bis(4-naphthalen-2-ylphenyl)anthracene;9-(3-naphthalen-2-ylphenyl)-10-phenanthren-9-ylanthracene.

What is the SMILES notation for 9,10-bis(3-naphthalen-1-ylphenyl)anthracene;9,10-bis(3-naphthalen-2-ylphenyl)anthracene;9,10-bis(4-naphthalen-1-ylphenyl)anthracene;9,10-bis(4-naphthalen-2-ylphenyl)anthracene;9-(3-naphthalen-2-ylphenyl)-10-phenanthren-9-ylanthracene?

The canonical SMILES for 9,10-bis(3-naphthalen-1-ylphenyl)anthracene;9,10-bis(3-naphthalen-2-ylphenyl)anthracene;9,10-bis(4-naphthalen-1-ylphenyl)anthracene;9,10-bis(4-naphthalen-2-ylphenyl)anthracene;9-(3-naphthalen-2-ylphenyl)-10-phenanthren-9-ylanthracene is c1cc(-c2ccc3ccccc3c2)cc(-c2c3ccccc3c(-c3cc4ccccc4c4ccccc34)c3ccccc23)c1.c1cc(-c2ccc3ccccc3c2)cc(-c2c3ccccc3c(-c3cccc(-c4ccc5ccccc5c4)c3)c3ccccc23)c1.c1cc(-c2cccc3ccccc23)cc(-c2c3ccccc3c(-c3cccc(-c4cccc5ccccc45)c3)c3ccccc23)c1.c1ccc2c(-c3ccc(-c4c5ccccc5c(-c5ccc(-c6cccc7ccccc67)cc5)c5ccccc45)cc3)cccc2c1.c1ccc2cc(-c3ccc(-c4c5ccccc5c(-c5ccc(-c6ccc7ccccc7c6)cc5)c5ccccc45)cc3)ccc2c1.

What is the InChIKey of 9,10-bis(3-naphthalen-1-ylphenyl)anthracene;9,10-bis(3-naphthalen-2-ylphenyl)anthracene;9,10-bis(4-naphthalen-1-ylphenyl)anthracene;9,10-bis(4-naphthalen-2-ylphenyl)anthracene;9-(3-naphthalen-2-ylphenyl)-10-phenanthren-9-ylanthracene?

The InChIKey is RTEWPGPFHWCBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/4C46H30.C44H28/c1-3-21-37-31(13-1)15-11-27-39(37)33-17-9-19-35(29-33)45-41-23-5-7-25-43(41)46(44-26-8-6-24-42(44)45)36-20-10-18-34(30-36)40-28-12-16-32-14-2-4-22-38(32)40;1-3-15-37-31(11-1)13-9-21-39(37)33-23-27-35(28-24-33)45-41-17-5-7-19-43(41)46(44-20-8-6-18-42(44)45)36-29-25-34(26-30-36)40-22-10-14-32-12-2-4-16-38(32)40;1-3-13-33-27-37(25-23-31(33)11-1)35-15-9-17-39(29-35)45-41-19-5-7-21-43(41)46(44-22-8-6-20-42(44)45)40-18-10-16-36(30-40)38-26-24-32-12-2-4-14-34(32)28-38;1-3-11-37-29-39(27-21-31(37)9-1)33-17-23-35(24-18-33)45-41-13-5-7-15-43(41)46(44-16-8-6-14-42(44)45)36-25-19-34(20-26-36)40-28-22-32-10-2-4-12-38(32)30-40;1-2-13-30-26-32(25-24-29(30)12-1)31-15-11-16-34(27-31)43-38-20-7-9-22-40(38)44(41-23-10-8-21-39(41)43)42-28-33-14-3-4-17-35(33)36-18-5-6-19-37(36)42/h4*1-30H;1-28H.

What are the key properties of 9,10-bis(3-naphthalen-1-ylphenyl)anthracene;9,10-bis(3-naphthalen-2-ylphenyl)anthracene;9,10-bis(4-naphthalen-1-ylphenyl)anthracene;9,10-bis(4-naphthalen-2-ylphenyl)anthracene;9-(3-naphthalen-2-ylphenyl)-10-phenanthren-9-ylanthracene?

9,10-bis(3-naphthalen-1-ylphenyl)anthracene;9,10-bis(3-naphthalen-2-ylphenyl)anthracene;9,10-bis(4-naphthalen-1-ylphenyl)anthracene;9,10-bis(4-naphthalen-2-ylphenyl)anthracene;9-(3-naphthalen-2-ylphenyl)-10-phenanthren-9-ylanthracene has a molecular weight of 2887.69 g/mol, XLogP of 64.32, 19 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 9,10-bis(3-naphthalen-1-ylphenyl)anthracene;9,10-bis(3-naphthalen-2-ylphenyl)anthracene;9,10-bis(4-naphthalen-1-ylphenyl)anthracene;9,10-bis(4-naphthalen-2-ylphenyl)anthracene;9-(3-naphthalen-2-ylphenyl)-10-phenanthren-9-ylanthracene is sourced from PubChem (CID 163943634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).