ethane;9-[4-[10-(3-methylphenyl)anthracen-9-yl]phenyl]-N,N-diphenylcarbazol-3-amine

C55H48N2 — CID 143301599

About ethane;9-[4-[10-(3-methylphenyl)anthracen-9-yl]phenyl]-N,N-diphenylcarbazol-3-amine

ethane;9-[4-[10-(3-methylphenyl)anthracen-9-yl]phenyl]-N,N-diphenylcarbazol-3-amine (PubChem CID 143301599) has the molecular formula C55H48N2 and a molecular weight of 737.00 g/mol. Its IUPAC name is ethane;9-[4-[10-(3-methylphenyl)anthracen-9-yl]phenyl]-N,N-diphenylcarbazol-3-amine.

Molecular Properties

• Compound Name: ethane;9-[4-[10-(3-methylphenyl)anthracen-9-yl]phenyl]-N,N-diphenylcarbazol-3-amine
• PubChem CID: 143301599
• Molecular Formula: C55H48N2
• Molecular Weight: 737.00 g/mol
• Exact Mass: 736.38
• IUPAC Name: ethane;9-[4-[10-(3-methylphenyl)anthracen-9-yl]phenyl]-N,N-diphenylcarbazol-3-amine
• SMILES: CC.CC.Cc1cccc(-c2c3ccccc3c(-c3ccc(-n4c5ccccc5c5cc(N(c6ccccc6)c6ccccc6)ccc54)cc3)c3ccccc23)c1
• InChI: InChI=1S/C51H36N2.2C2H6/c1-35-15-14-16-37(33-35)51-45-24-10-8-22-43(45)50(44-23-9-11-25-46(44)51)36-27-29-40(30-28-36)53-48-26-13-12-21-42(48)47-34-41(31-32-49(47)53)52(38-17-4-2-5-18-38)39-19-6-3-7-20-39;2*1-2/h2-34H,1H3;2*1-2H3
• InChIKey: UAOVFHCLQGTZQX-UHFFFAOYSA-N
• XLogP: 16.25
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	737.00
LogP ≤ 5	16.25
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 ethane;9-[4-[10-(3-methylphenyl)anthracen-9-yl]phenyl]-N,N-diphenylcarbazol-3-amine?

The IUPAC name of ethane;9-[4-[10-(3-methylphenyl)anthracen-9-yl]phenyl]-N,N-diphenylcarbazol-3-amine (CID 143301599) is ethane;9-[4-[10-(3-methylphenyl)anthracen-9-yl]phenyl]-N,N-diphenylcarbazol-3-amine.

What is the SMILES notation for ethane;9-[4-[10-(3-methylphenyl)anthracen-9-yl]phenyl]-N,N-diphenylcarbazol-3-amine?

The canonical SMILES for ethane;9-[4-[10-(3-methylphenyl)anthracen-9-yl]phenyl]-N,N-diphenylcarbazol-3-amine is CC.CC.Cc1cccc(-c2c3ccccc3c(-c3ccc(-n4c5ccccc5c5cc(N(c6ccccc6)c6ccccc6)ccc54)cc3)c3ccccc23)c1.

What is the InChIKey of ethane;9-[4-[10-(3-methylphenyl)anthracen-9-yl]phenyl]-N,N-diphenylcarbazol-3-amine?

The InChIKey is UAOVFHCLQGTZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H36N2.2C2H6/c1-35-15-14-16-37(33-35)51-45-24-10-8-22-43(45)50(44-23-9-11-25-46(44)51)36-27-29-40(30-28-36)53-48-26-13-12-21-42(48)47-34-41(31-32-49(47)53)52(38-17-4-2-5-18-38)39-19-6-3-7-20-39;2*1-2/h2-34H,1H3;2*1-2H3.

What are the key properties of ethane;9-[4-[10-(3-methylphenyl)anthracen-9-yl]phenyl]-N,N-diphenylcarbazol-3-amine?

ethane;9-[4-[10-(3-methylphenyl)anthracen-9-yl]phenyl]-N,N-diphenylcarbazol-3-amine has a molecular weight of 737.00 g/mol, XLogP of 16.25, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;9-[4-[10-(3-methylphenyl)anthracen-9-yl]phenyl]-N,N-diphenylcarbazol-3-amine is sourced from PubChem (CID 143301599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).