N-(4-dibenzofuran-3-ylphenyl)-9-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]carbazol-4-amine

C60H38N2O2 — CID 168805442

About N-(4-dibenzofuran-3-ylphenyl)-9-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]carbazol-4-amine

N-(4-dibenzofuran-3-ylphenyl)-9-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]carbazol-4-amine (PubChem CID 168805442) has the molecular formula C60H38N2O2 and a molecular weight of 818.98 g/mol. Its IUPAC name is N-(4-dibenzofuran-3-ylphenyl)-9-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]carbazol-4-amine.

Molecular Properties

• Compound Name: N-(4-dibenzofuran-3-ylphenyl)-9-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]carbazol-4-amine
• PubChem CID: 168805442
• Molecular Formula: C60H38N2O2
• Molecular Weight: 818.98 g/mol
• Exact Mass: 818.29
• IUPAC Name: N-(4-dibenzofuran-3-ylphenyl)-9-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]carbazol-4-amine
• SMILES: c1ccc(-c2cccc3c2oc2ccc(-c4ccc(N(c5ccc(-c6ccc7c(c6)oc6ccccc67)cc5)c5cccc6c5c5ccccc5n6-c5ccccc5)cc4)cc23)cc1
• InChI: InChI=1S/C60H38N2O2/c1-3-13-41(14-4-1)47-19-11-20-50-52-37-42(30-36-57(52)64-60(47)50)39-25-31-45(32-26-39)61(46-33-27-40(28-34-46)43-29-35-49-48-17-8-10-24-56(48)63-58(49)38-43)54-22-12-23-55-59(54)51-18-7-9-21-53(51)62(55)44-15-5-2-6-16-44/h1-38H
• InChIKey: XUIFUOZSARBJSR-UHFFFAOYSA-N
• XLogP: 17.05
• TPSA: 34.45 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	818.98
LogP ≤ 5	17.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-3-ylphenyl)-9-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]carbazol-4-amine?

The IUPAC name of N-(4-dibenzofuran-3-ylphenyl)-9-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]carbazol-4-amine (CID 168805442) is N-(4-dibenzofuran-3-ylphenyl)-9-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]carbazol-4-amine.

What is the SMILES notation for N-(4-dibenzofuran-3-ylphenyl)-9-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]carbazol-4-amine?

The canonical SMILES for N-(4-dibenzofuran-3-ylphenyl)-9-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]carbazol-4-amine is c1ccc(-c2cccc3c2oc2ccc(-c4ccc(N(c5ccc(-c6ccc7c(c6)oc6ccccc67)cc5)c5cccc6c5c5ccccc5n6-c5ccccc5)cc4)cc23)cc1.

What is the InChIKey of N-(4-dibenzofuran-3-ylphenyl)-9-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]carbazol-4-amine?

The InChIKey is XUIFUOZSARBJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H38N2O2/c1-3-13-41(14-4-1)47-19-11-20-50-52-37-42(30-36-57(52)64-60(47)50)39-25-31-45(32-26-39)61(46-33-27-40(28-34-46)43-29-35-49-48-17-8-10-24-56(48)63-58(49)38-43)54-22-12-23-55-59(54)51-18-7-9-21-53(51)62(55)44-15-5-2-6-16-44/h1-38H.

What are the key properties of N-(4-dibenzofuran-3-ylphenyl)-9-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]carbazol-4-amine?

N-(4-dibenzofuran-3-ylphenyl)-9-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]carbazol-4-amine has a molecular weight of 818.98 g/mol, XLogP of 17.05, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-dibenzofuran-3-ylphenyl)-9-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]carbazol-4-amine is sourced from PubChem (CID 168805442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).