6-(4-naphthalen-1-ylphenyl)-N,N-di(phenanthren-9-yl)-5,8-diphenyltriphenylen-2-amine;6-(4-naphthalen-1-ylphenyl)-5,8-diphenyl-N,N-bis(4-phenylphenyl)triphenylen-2-amine

C144H94N2 — CID 159775531

About 6-(4-naphthalen-1-ylphenyl)-N,N-di(phenanthren-9-yl)-5,8-diphenyltriphenylen-2-amine;6-(4-naphthalen-1-ylphenyl)-5,8-diphenyl-N,N-bis(4-phenylphenyl)triphenylen-2-amine

6-(4-naphthalen-1-ylphenyl)-N,N-di(phenanthren-9-yl)-5,8-diphenyltriphenylen-2-amine;6-(4-naphthalen-1-ylphenyl)-5,8-diphenyl-N,N-bis(4-phenylphenyl)triphenylen-2-amine (PubChem CID 159775531) has the molecular formula C144H94N2 and a molecular weight of 1852.35 g/mol. Its IUPAC name is 6-(4-naphthalen-1-ylphenyl)-N,N-di(phenanthren-9-yl)-5,8-diphenyltriphenylen-2-amine;6-(4-naphthalen-1-ylphenyl)-5,8-diphenyl-N,N-bis(4-phenylphenyl)triphenylen-2-amine.

Molecular Properties

• Compound Name: 6-(4-naphthalen-1-ylphenyl)-N,N-di(phenanthren-9-yl)-5,8-diphenyltriphenylen-2-amine;6-(4-naphthalen-1-ylphenyl)-5,8-diphenyl-N,N-bis(4-phenylphenyl)triphenylen-2-amine
• PubChem CID: 159775531
• Molecular Formula: C144H94N2
• Molecular Weight: 1852.35 g/mol
• Exact Mass: 1850.74
• IUPAC Name: 6-(4-naphthalen-1-ylphenyl)-N,N-di(phenanthren-9-yl)-5,8-diphenyltriphenylen-2-amine;6-(4-naphthalen-1-ylphenyl)-5,8-diphenyl-N,N-bis(4-phenylphenyl)triphenylen-2-amine
• SMILES: c1ccc(-c2cc(-c3ccc(-c4cccc5ccccc45)cc3)c(-c3ccccc3)c3c4ccc(N(c5cc6ccccc6c6ccccc56)c5cc6ccccc6c6ccccc56)cc4c4ccccc4c23)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)c3ccccc3c3c(-c5ccccc5)cc(-c5ccc(-c6cccc7ccccc67)cc5)c(-c5ccccc5)c43)cc2)cc1
• InChI: InChI=1S/C74H47N.C70H47N/c1-3-20-49(21-4-1)68-47-67(51-40-38-50(39-41-51)57-37-19-27-48-22-7-10-28-56(48)57)72(52-23-5-2-6-24-52)74-66-43-42-55(46-69(66)62-33-15-18-36-65(62)73(68)74)75(70-44-53-25-8-11-29-58(53)60-31-13-16-34-63(60)70)71-45-54-26-9-12-30-59(54)61-32-14-17-35-64(61)71;1-5-18-48(19-6-1)50-36-40-57(41-37-50)71(58-42-38-51(39-43-58)49-20-7-2-8-21-49)59-44-45-64-67(46-59)62-29-15-16-30-63(62)69-66(53-22-9-3-10-23-53)47-65(68(70(64)69)56-25-11-4-12-26-56)55-34-32-54(33-35-55)61-31-17-27-52-24-13-14-28-60(52)61/h1-47H;1-47H
• InChIKey: NGRMPUPODKECAK-UHFFFAOYSA-N
• XLogP: 40.82
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 16
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1852.35
LogP ≤ 5	40.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(4-naphthalen-1-ylphenyl)-N,N-di(phenanthren-9-yl)-5,8-diphenyltriphenylen-2-amine;6-(4-naphthalen-1-ylphenyl)-5,8-diphenyl-N,N-bis(4-phenylphenyl)triphenylen-2-amine?

The IUPAC name of 6-(4-naphthalen-1-ylphenyl)-N,N-di(phenanthren-9-yl)-5,8-diphenyltriphenylen-2-amine;6-(4-naphthalen-1-ylphenyl)-5,8-diphenyl-N,N-bis(4-phenylphenyl)triphenylen-2-amine (CID 159775531) is 6-(4-naphthalen-1-ylphenyl)-N,N-di(phenanthren-9-yl)-5,8-diphenyltriphenylen-2-amine;6-(4-naphthalen-1-ylphenyl)-5,8-diphenyl-N,N-bis(4-phenylphenyl)triphenylen-2-amine.

What is the SMILES notation for 6-(4-naphthalen-1-ylphenyl)-N,N-di(phenanthren-9-yl)-5,8-diphenyltriphenylen-2-amine;6-(4-naphthalen-1-ylphenyl)-5,8-diphenyl-N,N-bis(4-phenylphenyl)triphenylen-2-amine?

The canonical SMILES for 6-(4-naphthalen-1-ylphenyl)-N,N-di(phenanthren-9-yl)-5,8-diphenyltriphenylen-2-amine;6-(4-naphthalen-1-ylphenyl)-5,8-diphenyl-N,N-bis(4-phenylphenyl)triphenylen-2-amine is c1ccc(-c2cc(-c3ccc(-c4cccc5ccccc45)cc3)c(-c3ccccc3)c3c4ccc(N(c5cc6ccccc6c6ccccc56)c5cc6ccccc6c6ccccc56)cc4c4ccccc4c23)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)c3ccccc3c3c(-c5ccccc5)cc(-c5ccc(-c6cccc7ccccc67)cc5)c(-c5ccccc5)c43)cc2)cc1.

What is the InChIKey of 6-(4-naphthalen-1-ylphenyl)-N,N-di(phenanthren-9-yl)-5,8-diphenyltriphenylen-2-amine;6-(4-naphthalen-1-ylphenyl)-5,8-diphenyl-N,N-bis(4-phenylphenyl)triphenylen-2-amine?

The InChIKey is NGRMPUPODKECAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H47N.C70H47N/c1-3-20-49(21-4-1)68-47-67(51-40-38-50(39-41-51)57-37-19-27-48-22-7-10-28-56(48)57)72(52-23-5-2-6-24-52)74-66-43-42-55(46-69(66)62-33-15-18-36-65(62)73(68)74)75(70-44-53-25-8-11-29-58(53)60-31-13-16-34-63(60)70)71-45-54-26-9-12-30-59(54)61-32-14-17-35-64(61)71;1-5-18-48(19-6-1)50-36-40-57(41-37-50)71(58-42-38-51(39-43-58)49-20-7-2-8-21-49)59-44-45-64-67(46-59)62-29-15-16-30-63(62)69-66(53-22-9-3-10-23-53)47-65(68(70(64)69)56-25-11-4-12-26-56)55-34-32-54(33-35-55)61-31-17-27-52-24-13-14-28-60(52)61/h1-47H;1-47H.

What are the key properties of 6-(4-naphthalen-1-ylphenyl)-N,N-di(phenanthren-9-yl)-5,8-diphenyltriphenylen-2-amine;6-(4-naphthalen-1-ylphenyl)-5,8-diphenyl-N,N-bis(4-phenylphenyl)triphenylen-2-amine?

6-(4-naphthalen-1-ylphenyl)-N,N-di(phenanthren-9-yl)-5,8-diphenyltriphenylen-2-amine;6-(4-naphthalen-1-ylphenyl)-5,8-diphenyl-N,N-bis(4-phenylphenyl)triphenylen-2-amine has a molecular weight of 1852.35 g/mol, XLogP of 40.82, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4-naphthalen-1-ylphenyl)-N,N-di(phenanthren-9-yl)-5,8-diphenyltriphenylen-2-amine;6-(4-naphthalen-1-ylphenyl)-5,8-diphenyl-N,N-bis(4-phenylphenyl)triphenylen-2-amine is sourced from PubChem (CID 159775531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).