3-methyl-N-phenyl-N-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]aniline

C57H40N2 — CID 59307122

About 3-methyl-N-phenyl-N-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]aniline

3-methyl-N-phenyl-N-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]aniline (PubChem CID 59307122) has the molecular formula C57H40N2 and a molecular weight of 752.96 g/mol. Its IUPAC name is 3-methyl-N-phenyl-N-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]aniline.

Molecular Properties

• Compound Name: 3-methyl-N-phenyl-N-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]aniline
• PubChem CID: 59307122
• Molecular Formula: C57H40N2
• Molecular Weight: 752.96 g/mol
• Exact Mass: 752.32
• IUPAC Name: 3-methyl-N-phenyl-N-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]aniline
• SMILES: Cc1cccc(N(c2ccccc2)c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3)cc2)c1
• InChI: InChI=1S/C57H40N2/c1-39-15-14-20-47(37-39)58(44-18-6-3-7-19-44)45-32-27-40(28-33-45)43-31-36-55-53(38-43)48-21-12-13-26-54(48)59(55)46-34-29-42(30-35-46)57-51-24-10-8-22-49(51)56(41-16-4-2-5-17-41)50-23-9-11-25-52(50)57/h2-38H,1H3
• InChIKey: UGYLFPVSXOVNOR-UHFFFAOYSA-N
• XLogP: 15.87
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	752.96
LogP ≤ 5	15.87
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 3-methyl-N-phenyl-N-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]aniline?

The IUPAC name of 3-methyl-N-phenyl-N-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]aniline (CID 59307122) is 3-methyl-N-phenyl-N-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]aniline.

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

The canonical SMILES for 3-methyl-N-phenyl-N-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]aniline is Cc1cccc(N(c2ccccc2)c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3)cc2)c1.

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

The InChIKey is UGYLFPVSXOVNOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H40N2/c1-39-15-14-20-47(37-39)58(44-18-6-3-7-19-44)45-32-27-40(28-33-45)43-31-36-55-53(38-43)48-21-12-13-26-54(48)59(55)46-34-29-42(30-35-46)57-51-24-10-8-22-49(51)56(41-16-4-2-5-17-41)50-23-9-11-25-52(50)57/h2-38H,1H3.

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

3-methyl-N-phenyl-N-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]aniline has a molecular weight of 752.96 g/mol, XLogP of 15.87, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-N-phenyl-N-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]aniline is sourced from PubChem (CID 59307122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).