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

C102H72N4 — CID 91307888

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

6-methyl-N,9-diphenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine (PubChem CID 91307888) has the molecular formula C102H72N4 and a molecular weight of 1353.73 g/mol. Its IUPAC name is 6-methyl-N,9-diphenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine.

Molecular Properties

• Compound Name: 6-methyl-N,9-diphenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine
• PubChem CID: 91307888
• Molecular Formula: C102H72N4
• Molecular Weight: 1353.73 g/mol
• Exact Mass: 1352.58
• IUPAC Name: 6-methyl-N,9-diphenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine
• SMILES: Cc1ccc2c(c1)c1cc(N(c3ccccc3)c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3)ccc1n2-c1ccccc1.Cc1ccc2c(c1)c1cc(N(c3ccccc3)c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3)ccc1n2-c1ccccc1
• InChI: InChI=1S/2C51H36N2/c2*1-35-25-31-48-46(33-35)47-34-41(30-32-49(47)53(48)39-19-9-4-10-20-39)52(38-17-7-3-8-18-38)40-28-26-37(27-29-40)51-44-23-13-11-21-42(44)50(36-15-5-2-6-16-36)43-22-12-14-24-45(43)51/h2*2-34H,1H3
• InChIKey: UMFLGEMCIFDSOV-UHFFFAOYSA-N
• XLogP: 28.40
• TPSA: 16.34 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1353.73
LogP ≤ 5	28.40
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 6-methyl-N,9-diphenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine?

The IUPAC name of 6-methyl-N,9-diphenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine (CID 91307888) is 6-methyl-N,9-diphenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine.

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

The canonical SMILES for 6-methyl-N,9-diphenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine is Cc1ccc2c(c1)c1cc(N(c3ccccc3)c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3)ccc1n2-c1ccccc1.Cc1ccc2c(c1)c1cc(N(c3ccccc3)c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3)ccc1n2-c1ccccc1.

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

The InChIKey is UMFLGEMCIFDSOV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C51H36N2/c2*1-35-25-31-48-46(33-35)47-34-41(30-32-49(47)53(48)39-19-9-4-10-20-39)52(38-17-7-3-8-18-38)40-28-26-37(27-29-40)51-44-23-13-11-21-42(44)50(36-15-5-2-6-16-36)43-22-12-14-24-45(43)51/h2*2-34H,1H3.

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

6-methyl-N,9-diphenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine has a molecular weight of 1353.73 g/mol, XLogP of 28.40, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methyl-N,9-diphenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine is sourced from PubChem (CID 91307888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).