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

C60H40N2O — CID 153315097

IUPACN-[4-(3-carbazol-9-ylphenyl)phenyl]-2-(4-phenyldibenzofuran-3-yl)-N-(3-phenylphenyl)aniline
SMILESc1ccc(-c2cccc(N(c3ccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)cc3)c3ccccc3-c3ccc4c(oc5ccccc54)c3-c3ccccc3)c2)cc1
InChIInChI=1S/C60H40N2O/c1-3-17-41(18-4-1)44-21-15-23-47(39-44)61(46-35-33-42(34-36-46)45-22-16-24-48(40-45)62-56-30-12-7-25-49(56)50-26-8-13-31-57(50)62)55-29-11-9-27-51(55)53-37-38-54-52-28-10-14-32-58(52)63-60(54)59(53)43-19-5-2-6-20-43/h1-40H
InChIKeyXHWCVIZUGGUANK-UHFFFAOYSA-N
MW804.99 g/mol
LogP16.82
Rot. Bonds8

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

N-[4-(3-carbazol-9-ylphenyl)phenyl]-2-(4-phenyldibenzofuran-3-yl)-N-(3-phenylphenyl)aniline (PubChem CID 153315097) has the molecular formula C60H40N2O and a molecular weight of 804.99 g/mol. Its IUPAC name is N-[4-(3-carbazol-9-ylphenyl)phenyl]-2-(4-phenyldibenzofuran-3-yl)-N-(3-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-(3-carbazol-9-ylphenyl)phenyl]-2-(4-phenyldibenzofuran-3-yl)-N-(3-phenylphenyl)aniline
PubChem CID153315097
Molecular FormulaC60H40N2O
Molecular Weight804.99 g/mol
Exact Mass804.31
IUPAC NameN-[4-(3-carbazol-9-ylphenyl)phenyl]-2-(4-phenyldibenzofuran-3-yl)-N-(3-phenylphenyl)aniline
SMILESc1ccc(-c2cccc(N(c3ccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)cc3)c3ccccc3-c3ccc4c(oc5ccccc54)c3-c3ccccc3)c2)cc1
InChIInChI=1S/C60H40N2O/c1-3-17-41(18-4-1)44-21-15-23-47(39-44)61(46-35-33-42(34-36-46)45-22-16-24-48(40-45)62-56-30-12-7-25-49(56)50-26-8-13-31-57(50)62)55-29-11-9-27-51(55)53-37-38-54-52-28-10-14-32-58(52)63-60(54)59(53)43-19-5-2-6-20-43/h1-40H
InChIKeyXHWCVIZUGGUANK-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-(3-carbazol-9-ylphenyl)phenyl]-2-phenyl-N-[3-(4-phenyldibenzofuran-3-yl)phenyl]aniline
CID 153314668
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-phenyl-N-[4-(4-phenyldibenzofuran-3-yl)phenyl]aniline
CID 153314971
N-[4-(3-carbazol-9-ylphenyl)phenyl]-3-phenyl-N-[3-(4-phenyldibenzofuran-3-yl)phenyl]aniline
CID 153315073
N-[4-(3-carbazol-9-ylphenyl)phenyl]-2-dibenzofuran-1-yl-N-[3-(4-phenylphenyl)phenyl]aniline
CID 155398509
4-(3-carbazol-9-ylphenyl)-N-(2-phenylphenyl)-N-(3-phenylphenyl)dibenzofuran-3-amine
CID 176609319
N-[4-(3-carbazol-9-ylphenyl)phenyl]-2-phenyl-N-[4-(4-phenyldibenzofuran-1-yl)phenyl]aniline
CID 155398630
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-1-yl-N-(4-phenylphenyl)aniline
CID 155398540
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-[3-(3-carbazol-9-ylphenyl)phenyl]-N-(2-phenylphenyl)dibenzofuran-4-amine
CID 167086378
N-[4-(3-carbazol-9-ylphenyl)phenyl]-2-dibenzofuran-1-yl-N-[2-(2-phenylphenyl)phenyl]aniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-2-dibenzofuran-1-yl-N-[3-(2-phenylphenyl)phenyl]aniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-2-dibenzofuran-1-yl-N-[4-(2-phenylphenyl)phenyl]aniline
CID 162216331
4-(3-carbazol-9-ylphenyl)-N-(3-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-3-amine
CID 176607817
4-(3-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-3-amine
CID 176608956

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-carbazol-9-ylphenyl)phenyl]-2-(4-phenyldibenzofuran-3-yl)-N-(3-phenylphenyl)aniline?
The IUPAC name of N-[4-(3-carbazol-9-ylphenyl)phenyl]-2-(4-phenyldibenzofuran-3-yl)-N-(3-phenylphenyl)aniline (CID 153315097) is N-[4-(3-carbazol-9-ylphenyl)phenyl]-2-(4-phenyldibenzofuran-3-yl)-N-(3-phenylphenyl)aniline.
What is the SMILES notation for N-[4-(3-carbazol-9-ylphenyl)phenyl]-2-(4-phenyldibenzofuran-3-yl)-N-(3-phenylphenyl)aniline?
The canonical SMILES for N-[4-(3-carbazol-9-ylphenyl)phenyl]-2-(4-phenyldibenzofuran-3-yl)-N-(3-phenylphenyl)aniline is c1ccc(-c2cccc(N(c3ccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)cc3)c3ccccc3-c3ccc4c(oc5ccccc54)c3-c3ccccc3)c2)cc1.
What is the InChIKey of N-[4-(3-carbazol-9-ylphenyl)phenyl]-2-(4-phenyldibenzofuran-3-yl)-N-(3-phenylphenyl)aniline?
The InChIKey is XHWCVIZUGGUANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40N2O/c1-3-17-41(18-4-1)44-21-15-23-47(39-44)61(46-35-33-42(34-36-46)45-22-16-24-48(40-45)62-56-30-12-7-25-49(56)50-26-8-13-31-57(50)62)55-29-11-9-27-51(55)53-37-38-54-52-28-10-14-32-58(52)63-60(54)59(53)43-19-5-2-6-20-43/h1-40H.
What are the key properties of N-[4-(3-carbazol-9-ylphenyl)phenyl]-2-(4-phenyldibenzofuran-3-yl)-N-(3-phenylphenyl)aniline?
N-[4-(3-carbazol-9-ylphenyl)phenyl]-2-(4-phenyldibenzofuran-3-yl)-N-(3-phenylphenyl)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-(3-carbazol-9-ylphenyl)phenyl]-2-(4-phenyldibenzofuran-3-yl)-N-(3-phenylphenyl)aniline is sourced from PubChem (CID 153315097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).