6-ethyl-N,9-diphenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine

C52H38N2 — CID 58850679

About 6-ethyl-N,9-diphenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine

6-ethyl-N,9-diphenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine (PubChem CID 58850679) has the molecular formula C52H38N2 and a molecular weight of 690.89 g/mol. Its IUPAC name is 6-ethyl-N,9-diphenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine.

Molecular Properties

• Compound Name: 6-ethyl-N,9-diphenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine
• PubChem CID: 58850679
• Molecular Formula: C52H38N2
• Molecular Weight: 690.89 g/mol
• Exact Mass: 690.30
• IUPAC Name: 6-ethyl-N,9-diphenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine
• SMILES: CCc1ccc2c(c1)c1cc(N(c3ccccc3)c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3)ccc1n2-c1ccccc1
• InChI: InChI=1S/C52H38N2/c1-2-36-26-32-49-47(34-36)48-35-42(31-33-50(48)54(49)40-20-10-5-11-21-40)53(39-18-8-4-9-19-39)41-29-27-38(28-30-41)52-45-24-14-12-22-43(45)51(37-16-6-3-7-17-37)44-23-13-15-25-46(44)52/h3-35H,2H2,1H3
• InChIKey: QDDMIYMRGPRWDU-UHFFFAOYSA-N
• XLogP: 14.46
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	690.89
LogP ≤ 5	14.46
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 6-ethyl-N,9-diphenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine?

The IUPAC name of 6-ethyl-N,9-diphenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine (CID 58850679) is 6-ethyl-N,9-diphenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine.

What is the SMILES notation for 6-ethyl-N,9-diphenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine?

The canonical SMILES for 6-ethyl-N,9-diphenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine is CCc1ccc2c(c1)c1cc(N(c3ccccc3)c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3)ccc1n2-c1ccccc1.

What is the InChIKey of 6-ethyl-N,9-diphenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine?

The InChIKey is QDDMIYMRGPRWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H38N2/c1-2-36-26-32-49-47(34-36)48-35-42(31-33-50(48)54(49)40-20-10-5-11-21-40)53(39-18-8-4-9-19-39)41-29-27-38(28-30-41)52-45-24-14-12-22-43(45)51(37-16-6-3-7-17-37)44-23-13-15-25-46(44)52/h3-35H,2H2,1H3.

What are the key properties of 6-ethyl-N,9-diphenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine?

6-ethyl-N,9-diphenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine has a molecular weight of 690.89 g/mol, XLogP of 14.46, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 6-ethyl-N,9-diphenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine is sourced from PubChem (CID 58850679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).