9,10-dinaphthalen-1-yl-2-N,6-N-diphenyl-6-N-(4-phenylcyclohexa-1,3-dien-1-yl)-2-N-(4-phenylphenyl)anthracene-2,6-diamine

C70H50N2 — CID 89151841

About 9,10-dinaphthalen-1-yl-2-N,6-N-diphenyl-6-N-(4-phenylcyclohexa-1,3-dien-1-yl)-2-N-(4-phenylphenyl)anthracene-2,6-diamine

9,10-dinaphthalen-1-yl-2-N,6-N-diphenyl-6-N-(4-phenylcyclohexa-1,3-dien-1-yl)-2-N-(4-phenylphenyl)anthracene-2,6-diamine (PubChem CID 89151841) has the molecular formula C70H50N2 and a molecular weight of 919.18 g/mol. Its IUPAC name is 9,10-dinaphthalen-1-yl-2-N,6-N-diphenyl-6-N-(4-phenylcyclohexa-1,3-dien-1-yl)-2-N-(4-phenylphenyl)anthracene-2,6-diamine.

Molecular Properties

• Compound Name: 9,10-dinaphthalen-1-yl-2-N,6-N-diphenyl-6-N-(4-phenylcyclohexa-1,3-dien-1-yl)-2-N-(4-phenylphenyl)anthracene-2,6-diamine
• PubChem CID: 89151841
• Molecular Formula: C70H50N2
• Molecular Weight: 919.18 g/mol
• Exact Mass: 918.40
• IUPAC Name: 9,10-dinaphthalen-1-yl-2-N,6-N-diphenyl-6-N-(4-phenylcyclohexa-1,3-dien-1-yl)-2-N-(4-phenylphenyl)anthracene-2,6-diamine
• SMILES: C1=C(c2ccccc2)CCC(N(c2ccccc2)c2ccc3c(-c4cccc5ccccc45)c4cc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)ccc4c(-c4cccc5ccccc45)c3c2)=C1
• InChI: InChI=1S/C70H50N2/c1-5-19-49(20-6-1)51-35-39-57(40-36-51)71(55-27-9-3-10-28-55)59-43-45-65-67(47-59)69(63-33-17-25-53-23-13-15-31-61(53)63)66-46-44-60(48-68(66)70(65)64-34-18-26-54-24-14-16-32-62(54)64)72(56-29-11-4-12-30-56)58-41-37-52(38-42-58)50-21-7-2-8-22-50/h1-37,39-41,43-48H,38,42H2
• InChIKey: ZKWOKZPSLGYFAR-UHFFFAOYSA-N
• XLogP: 19.67
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	919.18
LogP ≤ 5	19.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9,10-dinaphthalen-1-yl-2-N,6-N-diphenyl-6-N-(4-phenylcyclohexa-1,3-dien-1-yl)-2-N-(4-phenylphenyl)anthracene-2,6-diamine?

The IUPAC name of 9,10-dinaphthalen-1-yl-2-N,6-N-diphenyl-6-N-(4-phenylcyclohexa-1,3-dien-1-yl)-2-N-(4-phenylphenyl)anthracene-2,6-diamine (CID 89151841) is 9,10-dinaphthalen-1-yl-2-N,6-N-diphenyl-6-N-(4-phenylcyclohexa-1,3-dien-1-yl)-2-N-(4-phenylphenyl)anthracene-2,6-diamine.

What is the SMILES notation for 9,10-dinaphthalen-1-yl-2-N,6-N-diphenyl-6-N-(4-phenylcyclohexa-1,3-dien-1-yl)-2-N-(4-phenylphenyl)anthracene-2,6-diamine?

The canonical SMILES for 9,10-dinaphthalen-1-yl-2-N,6-N-diphenyl-6-N-(4-phenylcyclohexa-1,3-dien-1-yl)-2-N-(4-phenylphenyl)anthracene-2,6-diamine is C1=C(c2ccccc2)CCC(N(c2ccccc2)c2ccc3c(-c4cccc5ccccc45)c4cc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)ccc4c(-c4cccc5ccccc45)c3c2)=C1.

What is the InChIKey of 9,10-dinaphthalen-1-yl-2-N,6-N-diphenyl-6-N-(4-phenylcyclohexa-1,3-dien-1-yl)-2-N-(4-phenylphenyl)anthracene-2,6-diamine?

The InChIKey is ZKWOKZPSLGYFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H50N2/c1-5-19-49(20-6-1)51-35-39-57(40-36-51)71(55-27-9-3-10-28-55)59-43-45-65-67(47-59)69(63-33-17-25-53-23-13-15-31-61(53)63)66-46-44-60(48-68(66)70(65)64-34-18-26-54-24-14-16-32-62(54)64)72(56-29-11-4-12-30-56)58-41-37-52(38-42-58)50-21-7-2-8-22-50/h1-37,39-41,43-48H,38,42H2.

What are the key properties of 9,10-dinaphthalen-1-yl-2-N,6-N-diphenyl-6-N-(4-phenylcyclohexa-1,3-dien-1-yl)-2-N-(4-phenylphenyl)anthracene-2,6-diamine?

9,10-dinaphthalen-1-yl-2-N,6-N-diphenyl-6-N-(4-phenylcyclohexa-1,3-dien-1-yl)-2-N-(4-phenylphenyl)anthracene-2,6-diamine has a molecular weight of 919.18 g/mol, XLogP of 19.67, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9,10-dinaphthalen-1-yl-2-N,6-N-diphenyl-6-N-(4-phenylcyclohexa-1,3-dien-1-yl)-2-N-(4-phenylphenyl)anthracene-2,6-diamine is sourced from PubChem (CID 89151841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).