N-[9,10-bis(4-quinolin-6-ylphenyl)anthracen-1-yl]-N,9-diphenylcarbazol-3-amine

C68H44N4 — CID 59211139

About N-[9,10-bis(4-quinolin-6-ylphenyl)anthracen-1-yl]-N,9-diphenylcarbazol-3-amine

N-[9,10-bis(4-quinolin-6-ylphenyl)anthracen-1-yl]-N,9-diphenylcarbazol-3-amine (PubChem CID 59211139) has the molecular formula C68H44N4 and a molecular weight of 917.13 g/mol. Its IUPAC name is N-[9,10-bis(4-quinolin-6-ylphenyl)anthracen-1-yl]-N,9-diphenylcarbazol-3-amine.

Molecular Properties

• Compound Name: N-[9,10-bis(4-quinolin-6-ylphenyl)anthracen-1-yl]-N,9-diphenylcarbazol-3-amine
• PubChem CID: 59211139
• Molecular Formula: C68H44N4
• Molecular Weight: 917.13 g/mol
• Exact Mass: 916.36
• IUPAC Name: N-[9,10-bis(4-quinolin-6-ylphenyl)anthracen-1-yl]-N,9-diphenylcarbazol-3-amine
• SMILES: c1ccc(N(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2cccc3c(-c4ccc(-c5ccc6ncccc6c5)cc4)c4ccccc4c(-c4ccc(-c5ccc6ncccc6c5)cc4)c23)cc1
• InChI: InChI=1S/C68H44N4/c1-3-16-53(17-4-1)71(55-36-39-64-60(44-55)56-20-9-10-24-63(56)72(64)54-18-5-2-6-19-54)65-25-11-23-59-66(47-30-26-45(27-31-47)49-34-37-61-51(42-49)14-12-40-69-61)57-21-7-8-22-58(57)67(68(59)65)48-32-28-46(29-33-48)50-35-38-62-52(43-50)15-13-41-70-62/h1-44H
• InChIKey: HYZBTMSYDUGMGH-UHFFFAOYSA-N
• XLogP: 18.32
• TPSA: 33.95 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	917.13
LogP ≤ 5	18.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[9,10-bis(4-quinolin-6-ylphenyl)anthracen-1-yl]-N,9-diphenylcarbazol-3-amine?

The IUPAC name of N-[9,10-bis(4-quinolin-6-ylphenyl)anthracen-1-yl]-N,9-diphenylcarbazol-3-amine (CID 59211139) is N-[9,10-bis(4-quinolin-6-ylphenyl)anthracen-1-yl]-N,9-diphenylcarbazol-3-amine.

What is the SMILES notation for N-[9,10-bis(4-quinolin-6-ylphenyl)anthracen-1-yl]-N,9-diphenylcarbazol-3-amine?

The canonical SMILES for N-[9,10-bis(4-quinolin-6-ylphenyl)anthracen-1-yl]-N,9-diphenylcarbazol-3-amine is c1ccc(N(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2cccc3c(-c4ccc(-c5ccc6ncccc6c5)cc4)c4ccccc4c(-c4ccc(-c5ccc6ncccc6c5)cc4)c23)cc1.

What is the InChIKey of N-[9,10-bis(4-quinolin-6-ylphenyl)anthracen-1-yl]-N,9-diphenylcarbazol-3-amine?

The InChIKey is HYZBTMSYDUGMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H44N4/c1-3-16-53(17-4-1)71(55-36-39-64-60(44-55)56-20-9-10-24-63(56)72(64)54-18-5-2-6-19-54)65-25-11-23-59-66(47-30-26-45(27-31-47)49-34-37-61-51(42-49)14-12-40-69-61)57-21-7-8-22-58(57)67(68(59)65)48-32-28-46(29-33-48)50-35-38-62-52(43-50)15-13-41-70-62/h1-44H.

What are the key properties of N-[9,10-bis(4-quinolin-6-ylphenyl)anthracen-1-yl]-N,9-diphenylcarbazol-3-amine?

N-[9,10-bis(4-quinolin-6-ylphenyl)anthracen-1-yl]-N,9-diphenylcarbazol-3-amine has a molecular weight of 917.13 g/mol, XLogP of 18.32, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[9,10-bis(4-quinolin-6-ylphenyl)anthracen-1-yl]-N,9-diphenylcarbazol-3-amine is sourced from PubChem (CID 59211139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).