4-(2-carbazol-9-ylphenyl)-N-(2-methyl-4-phenylphenyl)-N-phenyldibenzofuran-1-amine

C49H34N2O — CID 176609431

IUPAC4-(2-carbazol-9-ylphenyl)-N-(2-methyl-4-phenylphenyl)-N-phenyldibenzofuran-1-amine
SMILESCc1cc(-c2ccccc2)ccc1N(c1ccccc1)c1ccc(-c2ccccc2-n2c3ccccc3c3ccccc32)c2oc3ccccc3c12
InChIInChI=1S/C49H34N2O/c1-33-32-35(34-16-4-2-5-17-34)28-30-42(33)50(36-18-6-3-7-19-36)46-31-29-40(49-48(46)41-23-11-15-27-47(41)52-49)39-22-10-14-26-45(39)51-43-24-12-8-20-37(43)38-21-9-13-25-44(38)51/h2-32H,1H3
InChIKeyVKAKVDWROYJMGL-UHFFFAOYSA-N
MW666.82 g/mol
LogP13.80
Rot. Bonds6

About 4-(2-carbazol-9-ylphenyl)-N-(2-methyl-4-phenylphenyl)-N-phenyldibenzofuran-1-amine

4-(2-carbazol-9-ylphenyl)-N-(2-methyl-4-phenylphenyl)-N-phenyldibenzofuran-1-amine (PubChem CID 176609431) has the molecular formula C49H34N2O and a molecular weight of 666.82 g/mol. Its IUPAC name is 4-(2-carbazol-9-ylphenyl)-N-(2-methyl-4-phenylphenyl)-N-phenyldibenzofuran-1-amine.

Molecular Properties

Compound Name4-(2-carbazol-9-ylphenyl)-N-(2-methyl-4-phenylphenyl)-N-phenyldibenzofuran-1-amine
PubChem CID176609431
Molecular FormulaC49H34N2O
Molecular Weight666.82 g/mol
Exact Mass666.27
IUPAC Name4-(2-carbazol-9-ylphenyl)-N-(2-methyl-4-phenylphenyl)-N-phenyldibenzofuran-1-amine
SMILESCc1cc(-c2ccccc2)ccc1N(c1ccccc1)c1ccc(-c2ccccc2-n2c3ccccc3c3ccccc32)c2oc3ccccc3c12
InChIInChI=1S/C49H34N2O/c1-33-32-35(34-16-4-2-5-17-34)28-30-42(33)50(36-18-6-3-7-19-36)46-31-29-40(49-48(46)41-23-11-15-27-47(41)52-49)39-22-10-14-26-45(39)51-43-24-12-8-20-37(43)38-21-9-13-25-44(38)51/h2-32H,1H3
InChIKeyVKAKVDWROYJMGL-UHFFFAOYSA-N
XLogP13.80
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.82
LogP ≤ 513.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-carbazol-9-ylphenyl)-N-(2,6-dimethyl-4-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 176609415
4-(2-carbazol-9-ylphenyl)-N-(2,6-dimethyl-4-phenylphenyl)-N-(4-methylphenyl)dibenzofuran-1-amine
CID 176609461
4-(2-carbazol-9-ylphenyl)-N-(3,5-dimethyl-4-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 176609311
4-(2-carbazol-9-ylphenyl)-N-(2,6-dimethyl-4-phenylphenyl)-N-(3-methylphenyl)dibenzofuran-1-amine
CID 176608368
4-(2-carbazol-9-ylphenyl)-N-(2,5-dimethyl-4-phenylphenyl)-N-(3-methylphenyl)dibenzofuran-1-amine
CID 176608419
4-(2-carbazol-9-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-1-amine
CID 176608759
4-(2-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 176608439
4-(2-carbazol-9-ylphenyl)-N,N-bis(4-dibenzofuran-1-ylphenyl)dibenzofuran-1-amine
CID 176609769
4-(2-carbazol-9-ylphenyl)-N-(3-methylphenyl)-N-(2-methyl-4-phenylphenyl)dibenzofuran-2-amine
CID 176609650
4-(4-carbazol-9-ylphenyl)-N-(2,6-dimethyl-4-phenylphenyl)-N-phenyldibenzofuran-1-amine
CID 176609428
4-(2-carbazol-9-ylphenyl)-N-(4-phenanthren-1-ylphenyl)-N-phenyldibenzofuran-1-amine
CID 176609204
2-(2-carbazol-9-ylphenyl)-N-[4-(2-dibenzofuran-4-ylphenyl)phenyl]-N-(3-phenylphenyl)aniline
CID 139544521

Frequently Asked Questions

What is the IUPAC name of 4-(2-carbazol-9-ylphenyl)-N-(2-methyl-4-phenylphenyl)-N-phenyldibenzofuran-1-amine?
The IUPAC name of 4-(2-carbazol-9-ylphenyl)-N-(2-methyl-4-phenylphenyl)-N-phenyldibenzofuran-1-amine (CID 176609431) is 4-(2-carbazol-9-ylphenyl)-N-(2-methyl-4-phenylphenyl)-N-phenyldibenzofuran-1-amine.
What is the SMILES notation for 4-(2-carbazol-9-ylphenyl)-N-(2-methyl-4-phenylphenyl)-N-phenyldibenzofuran-1-amine?
The canonical SMILES for 4-(2-carbazol-9-ylphenyl)-N-(2-methyl-4-phenylphenyl)-N-phenyldibenzofuran-1-amine is Cc1cc(-c2ccccc2)ccc1N(c1ccccc1)c1ccc(-c2ccccc2-n2c3ccccc3c3ccccc32)c2oc3ccccc3c12.
What is the InChIKey of 4-(2-carbazol-9-ylphenyl)-N-(2-methyl-4-phenylphenyl)-N-phenyldibenzofuran-1-amine?
The InChIKey is VKAKVDWROYJMGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H34N2O/c1-33-32-35(34-16-4-2-5-17-34)28-30-42(33)50(36-18-6-3-7-19-36)46-31-29-40(49-48(46)41-23-11-15-27-47(41)52-49)39-22-10-14-26-45(39)51-43-24-12-8-20-37(43)38-21-9-13-25-44(38)51/h2-32H,1H3.
What are the key properties of 4-(2-carbazol-9-ylphenyl)-N-(2-methyl-4-phenylphenyl)-N-phenyldibenzofuran-1-amine?
4-(2-carbazol-9-ylphenyl)-N-(2-methyl-4-phenylphenyl)-N-phenyldibenzofuran-1-amine has a molecular weight of 666.82 g/mol, XLogP of 13.80, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-carbazol-9-ylphenyl)-N-(2-methyl-4-phenylphenyl)-N-phenyldibenzofuran-1-amine is sourced from PubChem (CID 176609431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).