11-methyl-N-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)benzo[a]carbazol-9-amine

C59H40N2O — CID 126628513

About 11-methyl-N-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)benzo[a]carbazol-9-amine

11-methyl-N-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)benzo[a]carbazol-9-amine (PubChem CID 126628513) has the molecular formula C59H40N2O and a molecular weight of 792.98 g/mol. Its IUPAC name is 11-methyl-N-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)benzo[a]carbazol-9-amine.

Molecular Properties

• Compound Name: 11-methyl-N-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)benzo[a]carbazol-9-amine
• PubChem CID: 126628513
• Molecular Formula: C59H40N2O
• Molecular Weight: 792.98 g/mol
• Exact Mass: 792.31
• IUPAC Name: 11-methyl-N-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)benzo[a]carbazol-9-amine
• SMILES: Cn1c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc(-c5cccc6c5oc5c(-c7ccccc7)cccc56)c4)cc3)ccc2c2ccc3ccccc3c21
• InChI: InChI=1S/C59H40N2O/c1-60-56-38-48(34-36-52(56)53-35-29-43-17-8-9-20-49(43)57(53)60)61(46-30-25-40(26-31-46)39-13-4-2-5-14-39)47-32-27-41(28-33-47)44-18-10-19-45(37-44)51-22-12-24-55-54-23-11-21-50(58(54)62-59(51)55)42-15-6-3-7-16-42/h2-38H,1H3
• InChIKey: OUJYZZNEZGDUOU-UHFFFAOYSA-N
• XLogP: 16.52
• TPSA: 21.31 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	792.98
LogP ≤ 5	16.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 11-methyl-N-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)benzo[a]carbazol-9-amine?

The IUPAC name of 11-methyl-N-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)benzo[a]carbazol-9-amine (CID 126628513) is 11-methyl-N-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)benzo[a]carbazol-9-amine.

What is the SMILES notation for 11-methyl-N-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)benzo[a]carbazol-9-amine?

The canonical SMILES for 11-methyl-N-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)benzo[a]carbazol-9-amine is Cn1c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc(-c5cccc6c5oc5c(-c7ccccc7)cccc56)c4)cc3)ccc2c2ccc3ccccc3c21.

What is the InChIKey of 11-methyl-N-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)benzo[a]carbazol-9-amine?

The InChIKey is OUJYZZNEZGDUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H40N2O/c1-60-56-38-48(34-36-52(56)53-35-29-43-17-8-9-20-49(43)57(53)60)61(46-30-25-40(26-31-46)39-13-4-2-5-14-39)47-32-27-41(28-33-47)44-18-10-19-45(37-44)51-22-12-24-55-54-23-11-21-50(58(54)62-59(51)55)42-15-6-3-7-16-42/h2-38H,1H3.

What are the key properties of 11-methyl-N-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)benzo[a]carbazol-9-amine?

11-methyl-N-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)benzo[a]carbazol-9-amine has a molecular weight of 792.98 g/mol, XLogP of 16.52, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 11-methyl-N-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)benzo[a]carbazol-9-amine is sourced from PubChem (CID 126628513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).