N-[4-(4-carbazol-9-ylphenyl)phenyl]-2-phenyl-N-[3-(4-phenyldibenzofuran-1-yl)phenyl]aniline

C60H40N2O — CID 155398470

IUPACN-[4-(4-carbazol-9-ylphenyl)phenyl]-2-phenyl-N-[3-(4-phenyldibenzofuran-1-yl)phenyl]aniline
SMILESc1ccc(-c2ccccc2N(c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)c2cccc(-c3ccc(-c4ccccc4)c4oc5ccccc5c34)c2)cc1
InChIInChI=1S/C60H40N2O/c1-3-16-43(17-4-1)49-22-7-11-26-55(49)61(46-34-30-41(31-35-46)42-32-36-47(37-33-42)62-56-27-12-8-23-52(56)53-24-9-13-28-57(53)62)48-21-15-20-45(40-48)50-38-39-51(44-18-5-2-6-19-44)60-59(50)54-25-10-14-29-58(54)63-60/h1-40H
InChIKeyCPQDVYOCHHDYAA-UHFFFAOYSA-N
MW804.99 g/mol
LogP16.82
Rot. Bonds8

About N-[4-(4-carbazol-9-ylphenyl)phenyl]-2-phenyl-N-[3-(4-phenyldibenzofuran-1-yl)phenyl]aniline

N-[4-(4-carbazol-9-ylphenyl)phenyl]-2-phenyl-N-[3-(4-phenyldibenzofuran-1-yl)phenyl]aniline (PubChem CID 155398470) has the molecular formula C60H40N2O and a molecular weight of 804.99 g/mol. Its IUPAC name is N-[4-(4-carbazol-9-ylphenyl)phenyl]-2-phenyl-N-[3-(4-phenyldibenzofuran-1-yl)phenyl]aniline.

Molecular Properties

Compound NameN-[4-(4-carbazol-9-ylphenyl)phenyl]-2-phenyl-N-[3-(4-phenyldibenzofuran-1-yl)phenyl]aniline
PubChem CID155398470
Molecular FormulaC60H40N2O
Molecular Weight804.99 g/mol
Exact Mass804.31
IUPAC NameN-[4-(4-carbazol-9-ylphenyl)phenyl]-2-phenyl-N-[3-(4-phenyldibenzofuran-1-yl)phenyl]aniline
SMILESc1ccc(-c2ccccc2N(c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)c2cccc(-c3ccc(-c4ccccc4)c4oc5ccccc5c34)c2)cc1
InChIInChI=1S/C60H40N2O/c1-3-16-43(17-4-1)49-22-7-11-26-55(49)61(46-34-30-41(31-35-46)42-32-36-47(37-33-42)62-56-27-12-8-23-52(56)53-24-9-13-28-57(53)62)48-21-15-20-45(40-48)50-38-39-51(44-18-5-2-6-19-44)60-59(50)54-25-10-14-29-58(54)63-60/h1-40H
InChIKeyCPQDVYOCHHDYAA-UHFFFAOYSA-N
XLogP16.82
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500804.99
LogP ≤ 516.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(4-carbazol-9-ylphenyl)phenyl]-2-(4-phenyldibenzofuran-1-yl)-N-(4-phenylphenyl)aniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-2-(6-phenyldibenzofuran-1-yl)-N-(3-phenylphenyl)aniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-2-(6-phenyldibenzofuran-1-yl)-N-(4-phenylphenyl)aniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-3-(6-phenyldibenzofuran-1-yl)-N-(4-phenylphenyl)aniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-2-phenyl-N-[2-(4-phenyldibenzofuran-1-yl)phenyl]aniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-3-phenyl-N-[3-(6-phenyldibenzofuran-1-yl)phenyl]aniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-3-phenyl-N-[4-(6-phenyldibenzofuran-1-yl)phenyl]aniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-[4-(6-phenyldibenzofuran-1-yl)phenyl]aniline
CID 157489762
N-[4-(3-carbazol-9-ylphenyl)phenyl]-2-phenyl-N-[4-(4-phenyldibenzofuran-1-yl)phenyl]aniline
CID 155398630
N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-1-ylphenyl)-2-(2-phenylphenyl)aniline
CID 155398519
N-(4-carbazol-9-ylphenyl)-2-dibenzofuran-1-yl-N-[3-(2-phenylphenyl)phenyl]aniline
CID 155398745
N-[4-(3-carbazol-9-ylphenyl)phenyl]-2-(6-phenyldibenzofuran-1-yl)-N-[2-[3-[9-[3-[4-(3-phenyl-N-[2-(4-phenyldibenzofuran-1-yl)phenyl]anilino)phenyl]phenyl]carbazol-2-yl]phenyl]phenyl]aniline
CID 155398521
N-[4-(4-carbazol-9-ylphenyl)phenyl]-3-phenyl-N-[3-(6-phenyldibenzofuran-1-yl)phenyl]aniline
CID 155649265
N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-1-yl-N-[3-(3-phenylphenyl)phenyl]aniline
CID 155398660
N-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-3-dibenzofuran-1-yl-N-phenylaniline
CID 155398130
N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-3-ylphenyl)-2-phenylaniline
CID 153314795
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(2-dibenzofuran-4-ylphenyl)-2-phenylaniline
CID 164822828
N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-3-phenylaniline
CID 155649256
N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-3-(4-phenylphenyl)aniline
CID 155397977

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-carbazol-9-ylphenyl)phenyl]-2-phenyl-N-[3-(4-phenyldibenzofuran-1-yl)phenyl]aniline?
The IUPAC name of N-[4-(4-carbazol-9-ylphenyl)phenyl]-2-phenyl-N-[3-(4-phenyldibenzofuran-1-yl)phenyl]aniline (CID 155398470) is N-[4-(4-carbazol-9-ylphenyl)phenyl]-2-phenyl-N-[3-(4-phenyldibenzofuran-1-yl)phenyl]aniline.
What is the SMILES notation for N-[4-(4-carbazol-9-ylphenyl)phenyl]-2-phenyl-N-[3-(4-phenyldibenzofuran-1-yl)phenyl]aniline?
The canonical SMILES for N-[4-(4-carbazol-9-ylphenyl)phenyl]-2-phenyl-N-[3-(4-phenyldibenzofuran-1-yl)phenyl]aniline is c1ccc(-c2ccccc2N(c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)c2cccc(-c3ccc(-c4ccccc4)c4oc5ccccc5c34)c2)cc1.
What is the InChIKey of N-[4-(4-carbazol-9-ylphenyl)phenyl]-2-phenyl-N-[3-(4-phenyldibenzofuran-1-yl)phenyl]aniline?
The InChIKey is CPQDVYOCHHDYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40N2O/c1-3-16-43(17-4-1)49-22-7-11-26-55(49)61(46-34-30-41(31-35-46)42-32-36-47(37-33-42)62-56-27-12-8-23-52(56)53-24-9-13-28-57(53)62)48-21-15-20-45(40-48)50-38-39-51(44-18-5-2-6-19-44)60-59(50)54-25-10-14-29-58(54)63-60/h1-40H.
What are the key properties of N-[4-(4-carbazol-9-ylphenyl)phenyl]-2-phenyl-N-[3-(4-phenyldibenzofuran-1-yl)phenyl]aniline?
N-[4-(4-carbazol-9-ylphenyl)phenyl]-2-phenyl-N-[3-(4-phenyldibenzofuran-1-yl)phenyl]aniline has a molecular weight of 804.99 g/mol, XLogP of 16.82, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-carbazol-9-ylphenyl)phenyl]-2-phenyl-N-[3-(4-phenyldibenzofuran-1-yl)phenyl]aniline is sourced from PubChem (CID 155398470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).