4-(4-carbazol-9-ylphenyl)-N-(2,6-dimethyl-4-phenylphenyl)-N-phenyldibenzofuran-1-amine

C50H36N2O — CID 176609428

IUPAC4-(4-carbazol-9-ylphenyl)-N-(2,6-dimethyl-4-phenylphenyl)-N-phenyldibenzofuran-1-amine
SMILESCc1cc(-c2ccccc2)cc(C)c1N(c1ccccc1)c1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2oc3ccccc3c12
InChIInChI=1S/C50H36N2O/c1-33-31-37(35-15-5-3-6-16-35)32-34(2)49(33)52(38-17-7-4-8-18-38)46-30-29-40(50-48(46)43-21-11-14-24-47(43)53-50)36-25-27-39(28-26-36)51-44-22-12-9-19-41(44)42-20-10-13-23-45(42)51/h3-32H,1-2H3
InChIKeyCDWLDGCUBNLYPB-UHFFFAOYSA-N
MW680.85 g/mol
LogP14.10
Rot. Bonds6

About 4-(4-carbazol-9-ylphenyl)-N-(2,6-dimethyl-4-phenylphenyl)-N-phenyldibenzofuran-1-amine

4-(4-carbazol-9-ylphenyl)-N-(2,6-dimethyl-4-phenylphenyl)-N-phenyldibenzofuran-1-amine (PubChem CID 176609428) has the molecular formula C50H36N2O and a molecular weight of 680.85 g/mol. Its IUPAC name is 4-(4-carbazol-9-ylphenyl)-N-(2,6-dimethyl-4-phenylphenyl)-N-phenyldibenzofuran-1-amine.

Molecular Properties

Compound Name4-(4-carbazol-9-ylphenyl)-N-(2,6-dimethyl-4-phenylphenyl)-N-phenyldibenzofuran-1-amine
PubChem CID176609428
Molecular FormulaC50H36N2O
Molecular Weight680.85 g/mol
Exact Mass680.28
IUPAC Name4-(4-carbazol-9-ylphenyl)-N-(2,6-dimethyl-4-phenylphenyl)-N-phenyldibenzofuran-1-amine
SMILESCc1cc(-c2ccccc2)cc(C)c1N(c1ccccc1)c1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2oc3ccccc3c12
InChIInChI=1S/C50H36N2O/c1-33-31-37(35-15-5-3-6-16-35)32-34(2)49(33)52(38-17-7-4-8-18-38)46-30-29-40(50-48(46)43-21-11-14-24-47(43)53-50)36-25-27-39(28-26-36)51-44-22-12-9-19-41(44)42-20-10-13-23-45(42)51/h3-32H,1-2H3
InChIKeyCDWLDGCUBNLYPB-UHFFFAOYSA-N
XLogP14.10
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500680.85
LogP ≤ 514.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-carbazol-9-ylphenyl)-N,N-diphenyldibenzofuran-1-amine
CID 176608271
4-(2-carbazol-9-ylphenyl)-N-(2,6-dimethyl-4-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 176609415
4-(3-carbazol-9-ylphenyl)-N-(2,6-dimethyl-4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 176608337
4-(4-carbazol-9-ylphenyl)-N-(2,4-diphenylphenyl)-N-(3-methyl-4-phenylphenyl)dibenzofuran-1-amine
CID 176608299
4-(2-carbazol-9-ylphenyl)-N-(2,6-dimethyl-4-phenylphenyl)-N-(4-methylphenyl)dibenzofuran-1-amine
CID 176609461
4-(4-carbazol-9-ylphenyl)-N-(2-methylphenyl)-N-(3-methyl-4-phenylphenyl)dibenzofuran-1-amine
CID 176609442
4-(4-carbazol-9-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-N-phenyldibenzofuran-1-amine
CID 176609511
4-(2-carbazol-9-ylphenyl)-N-(2,6-dimethyl-4-phenylphenyl)-N-(3-methylphenyl)dibenzofuran-1-amine
CID 176608368
4-(4-carbazol-9-ylphenyl)-N-(3-phenanthren-9-ylphenyl)-N-phenyldibenzofuran-1-amine
CID 176608684
N-phenanthren-3-yl-9-phenyl-N-[4-(4-phenylphenyl)dibenzofuran-1-yl]carbazol-3-amine
CID 176820826
4-(2-carbazol-9-ylphenyl)-N-(2-methyl-4-phenylphenyl)-N-phenyldibenzofuran-1-amine
CID 176609431
N-[4-(4-carbazol-9-ylphenyl)phenyl]-2-phenyl-N-[3-(4-phenyldibenzofuran-1-yl)phenyl]aniline
CID 155398470

Frequently Asked Questions

What is the IUPAC name of 4-(4-carbazol-9-ylphenyl)-N-(2,6-dimethyl-4-phenylphenyl)-N-phenyldibenzofuran-1-amine?
The IUPAC name of 4-(4-carbazol-9-ylphenyl)-N-(2,6-dimethyl-4-phenylphenyl)-N-phenyldibenzofuran-1-amine (CID 176609428) is 4-(4-carbazol-9-ylphenyl)-N-(2,6-dimethyl-4-phenylphenyl)-N-phenyldibenzofuran-1-amine.
What is the SMILES notation for 4-(4-carbazol-9-ylphenyl)-N-(2,6-dimethyl-4-phenylphenyl)-N-phenyldibenzofuran-1-amine?
The canonical SMILES for 4-(4-carbazol-9-ylphenyl)-N-(2,6-dimethyl-4-phenylphenyl)-N-phenyldibenzofuran-1-amine is Cc1cc(-c2ccccc2)cc(C)c1N(c1ccccc1)c1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2oc3ccccc3c12.
What is the InChIKey of 4-(4-carbazol-9-ylphenyl)-N-(2,6-dimethyl-4-phenylphenyl)-N-phenyldibenzofuran-1-amine?
The InChIKey is CDWLDGCUBNLYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H36N2O/c1-33-31-37(35-15-5-3-6-16-35)32-34(2)49(33)52(38-17-7-4-8-18-38)46-30-29-40(50-48(46)43-21-11-14-24-47(43)53-50)36-25-27-39(28-26-36)51-44-22-12-9-19-41(44)42-20-10-13-23-45(42)51/h3-32H,1-2H3.
What are the key properties of 4-(4-carbazol-9-ylphenyl)-N-(2,6-dimethyl-4-phenylphenyl)-N-phenyldibenzofuran-1-amine?
4-(4-carbazol-9-ylphenyl)-N-(2,6-dimethyl-4-phenylphenyl)-N-phenyldibenzofuran-1-amine has a molecular weight of 680.85 g/mol, XLogP of 14.10, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-carbazol-9-ylphenyl)-N-(2,6-dimethyl-4-phenylphenyl)-N-phenyldibenzofuran-1-amine is sourced from PubChem (CID 176609428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).