9-[3,5-bis(3,6-dimethylphenanthren-9-yl)phenyl]-3,6-dimethylphenanthrene;1-[3-[3,5-bis(3-naphthalen-1-ylphenyl)phenyl]phenyl]naphthalene;1-[4-[3,5-bis(4-naphthalen-1-ylphenyl)phenyl]phenyl]naphthalene

C162H114 — CID 158936046

About 9-[3,5-bis(3,6-dimethylphenanthren-9-yl)phenyl]-3,6-dimethylphenanthrene;1-[3-[3,5-bis(3-naphthalen-1-ylphenyl)phenyl]phenyl]naphthalene;1-[4-[3,5-bis(4-naphthalen-1-ylphenyl)phenyl]phenyl]naphthalene

9-[3,5-bis(3,6-dimethylphenanthren-9-yl)phenyl]-3,6-dimethylphenanthrene;1-[3-[3,5-bis(3-naphthalen-1-ylphenyl)phenyl]phenyl]naphthalene;1-[4-[3,5-bis(4-naphthalen-1-ylphenyl)phenyl]phenyl]naphthalene (PubChem CID 158936046) has the molecular formula C162H114 and a molecular weight of 2060.69 g/mol. Its IUPAC name is 9-[3,5-bis(3,6-dimethylphenanthren-9-yl)phenyl]-3,6-dimethylphenanthrene;1-[3-[3,5-bis(3-naphthalen-1-ylphenyl)phenyl]phenyl]naphthalene;1-[4-[3,5-bis(4-naphthalen-1-ylphenyl)phenyl]phenyl]naphthalene.

Molecular Properties

• Compound Name: 9-[3,5-bis(3,6-dimethylphenanthren-9-yl)phenyl]-3,6-dimethylphenanthrene;1-[3-[3,5-bis(3-naphthalen-1-ylphenyl)phenyl]phenyl]naphthalene;1-[4-[3,5-bis(4-naphthalen-1-ylphenyl)phenyl]phenyl]naphthalene
• PubChem CID: 158936046
• Molecular Formula: C162H114
• Molecular Weight: 2060.69 g/mol
• Exact Mass: 2058.89
• IUPAC Name: 9-[3,5-bis(3,6-dimethylphenanthren-9-yl)phenyl]-3,6-dimethylphenanthrene;1-[3-[3,5-bis(3-naphthalen-1-ylphenyl)phenyl]phenyl]naphthalene;1-[4-[3,5-bis(4-naphthalen-1-ylphenyl)phenyl]phenyl]naphthalene
• SMILES: Cc1ccc2cc(-c3cc(-c4cc5ccc(C)cc5c5cc(C)ccc45)cc(-c4cc5ccc(C)cc5c5cc(C)ccc45)c3)c3ccc(C)cc3c2c1.c1cc(-c2cc(-c3cccc(-c4cccc5ccccc45)c3)cc(-c3cccc(-c4cccc5ccccc45)c3)c2)cc(-c2cccc3ccccc23)c1.c1ccc2c(-c3ccc(-c4cc(-c5ccc(-c6cccc7ccccc67)cc5)cc(-c5ccc(-c6cccc7ccccc67)cc5)c4)cc3)cccc2c1
• InChI: InChI=1S/C54H42.2C54H36/c1-31-7-13-37-28-49(43-16-10-34(4)22-52(43)46(37)19-31)40-25-41(50-29-38-14-8-32(2)20-47(38)53-23-35(5)11-17-44(50)53)27-42(26-40)51-30-39-15-9-33(3)21-48(39)54-24-36(6)12-18-45(51)54;1-4-25-49-37(13-1)16-10-28-52(49)43-22-7-19-40(31-43)46-34-47(41-20-8-23-44(32-41)53-29-11-17-38-14-2-5-26-50(38)53)36-48(35-46)42-21-9-24-45(33-42)54-30-12-18-39-15-3-6-27-51(39)54;1-4-16-49-40(10-1)13-7-19-52(49)43-28-22-37(23-29-43)46-34-47(38-24-30-44(31-25-38)53-20-8-14-41-11-2-5-17-50(41)53)36-48(35-46)39-26-32-45(33-27-39)54-21-9-15-42-12-3-6-18-51(42)54/h7-30H,1-6H3;2*1-36H
• InChIKey: JJQUYJMWQJHBNJ-UHFFFAOYSA-N
• XLogP: 45.75
• TPSA: 0.00 Ų
• Rotatable Bonds: 15
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2060.69
LogP ≤ 5	45.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-[3,5-bis(3,6-dimethylphenanthren-9-yl)phenyl]-3,6-dimethylphenanthrene;1-[3-[3,5-bis(3-naphthalen-1-ylphenyl)phenyl]phenyl]naphthalene;1-[4-[3,5-bis(4-naphthalen-1-ylphenyl)phenyl]phenyl]naphthalene?

The IUPAC name of 9-[3,5-bis(3,6-dimethylphenanthren-9-yl)phenyl]-3,6-dimethylphenanthrene;1-[3-[3,5-bis(3-naphthalen-1-ylphenyl)phenyl]phenyl]naphthalene;1-[4-[3,5-bis(4-naphthalen-1-ylphenyl)phenyl]phenyl]naphthalene (CID 158936046) is 9-[3,5-bis(3,6-dimethylphenanthren-9-yl)phenyl]-3,6-dimethylphenanthrene;1-[3-[3,5-bis(3-naphthalen-1-ylphenyl)phenyl]phenyl]naphthalene;1-[4-[3,5-bis(4-naphthalen-1-ylphenyl)phenyl]phenyl]naphthalene.

What is the SMILES notation for 9-[3,5-bis(3,6-dimethylphenanthren-9-yl)phenyl]-3,6-dimethylphenanthrene;1-[3-[3,5-bis(3-naphthalen-1-ylphenyl)phenyl]phenyl]naphthalene;1-[4-[3,5-bis(4-naphthalen-1-ylphenyl)phenyl]phenyl]naphthalene?

The canonical SMILES for 9-[3,5-bis(3,6-dimethylphenanthren-9-yl)phenyl]-3,6-dimethylphenanthrene;1-[3-[3,5-bis(3-naphthalen-1-ylphenyl)phenyl]phenyl]naphthalene;1-[4-[3,5-bis(4-naphthalen-1-ylphenyl)phenyl]phenyl]naphthalene is Cc1ccc2cc(-c3cc(-c4cc5ccc(C)cc5c5cc(C)ccc45)cc(-c4cc5ccc(C)cc5c5cc(C)ccc45)c3)c3ccc(C)cc3c2c1.c1cc(-c2cc(-c3cccc(-c4cccc5ccccc45)c3)cc(-c3cccc(-c4cccc5ccccc45)c3)c2)cc(-c2cccc3ccccc23)c1.c1ccc2c(-c3ccc(-c4cc(-c5ccc(-c6cccc7ccccc67)cc5)cc(-c5ccc(-c6cccc7ccccc67)cc5)c4)cc3)cccc2c1.

What is the InChIKey of 9-[3,5-bis(3,6-dimethylphenanthren-9-yl)phenyl]-3,6-dimethylphenanthrene;1-[3-[3,5-bis(3-naphthalen-1-ylphenyl)phenyl]phenyl]naphthalene;1-[4-[3,5-bis(4-naphthalen-1-ylphenyl)phenyl]phenyl]naphthalene?

The InChIKey is JJQUYJMWQJHBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H42.2C54H36/c1-31-7-13-37-28-49(43-16-10-34(4)22-52(43)46(37)19-31)40-25-41(50-29-38-14-8-32(2)20-47(38)53-23-35(5)11-17-44(50)53)27-42(26-40)51-30-39-15-9-33(3)21-48(39)54-24-36(6)12-18-45(51)54;1-4-25-49-37(13-1)16-10-28-52(49)43-22-7-19-40(31-43)46-34-47(41-20-8-23-44(32-41)53-29-11-17-38-14-2-5-26-50(38)53)36-48(35-46)42-21-9-24-45(33-42)54-30-12-18-39-15-3-6-27-51(39)54;1-4-16-49-40(10-1)13-7-19-52(49)43-28-22-37(23-29-43)46-34-47(38-24-30-44(31-25-38)53-20-8-14-41-11-2-5-17-50(41)53)36-48(35-46)39-26-32-45(33-27-39)54-21-9-15-42-12-3-6-18-51(42)54/h7-30H,1-6H3;2*1-36H.

What are the key properties of 9-[3,5-bis(3,6-dimethylphenanthren-9-yl)phenyl]-3,6-dimethylphenanthrene;1-[3-[3,5-bis(3-naphthalen-1-ylphenyl)phenyl]phenyl]naphthalene;1-[4-[3,5-bis(4-naphthalen-1-ylphenyl)phenyl]phenyl]naphthalene?

9-[3,5-bis(3,6-dimethylphenanthren-9-yl)phenyl]-3,6-dimethylphenanthrene;1-[3-[3,5-bis(3-naphthalen-1-ylphenyl)phenyl]phenyl]naphthalene;1-[4-[3,5-bis(4-naphthalen-1-ylphenyl)phenyl]phenyl]naphthalene has a molecular weight of 2060.69 g/mol, XLogP of 45.75, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[3,5-bis(3,6-dimethylphenanthren-9-yl)phenyl]-3,6-dimethylphenanthrene;1-[3-[3,5-bis(3-naphthalen-1-ylphenyl)phenyl]phenyl]naphthalene;1-[4-[3,5-bis(4-naphthalen-1-ylphenyl)phenyl]phenyl]naphthalene is sourced from PubChem (CID 158936046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).