N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-3-ylphenyl)-4-phenylaniline

C60H40N2O — CID 147432395

IUPACN-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-3-ylphenyl)-4-phenylaniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)c4)cc3)c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3)cc2)cc1
InChIInChI=1S/C60H40N2O/c1-2-11-41(12-3-1)42-21-30-49(31-22-42)61(51-34-25-45(26-35-51)48-29-38-56-55-17-6-9-20-59(55)63-60(56)40-48)50-32-23-43(24-33-50)46-13-10-14-47(39-46)44-27-36-52(37-28-44)62-57-18-7-4-15-53(57)54-16-5-8-19-58(54)62/h1-40H
InChIKeyDUPIHWLHNWUBTD-UHFFFAOYSA-N
MW804.99 g/mol
LogP16.82
Rot. Bonds8

About N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-3-ylphenyl)-4-phenylaniline

N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-3-ylphenyl)-4-phenylaniline (PubChem CID 147432395) has the molecular formula C60H40N2O and a molecular weight of 804.99 g/mol. Its IUPAC name is N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-3-ylphenyl)-4-phenylaniline.

Molecular Properties

Compound NameN-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-3-ylphenyl)-4-phenylaniline
PubChem CID147432395
Molecular FormulaC60H40N2O
Molecular Weight804.99 g/mol
Exact Mass804.31
IUPAC NameN-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-3-ylphenyl)-4-phenylaniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)c4)cc3)c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3)cc2)cc1
InChIInChI=1S/C60H40N2O/c1-2-11-41(12-3-1)42-21-30-49(31-22-42)61(51-34-25-45(26-35-51)48-29-38-56-55-17-6-9-20-59(55)63-60(56)40-48)50-32-23-43(24-33-50)46-13-10-14-47(39-46)44-27-36-52(37-28-44)62-57-18-7-4-15-53(57)54-16-5-8-19-58(54)62/h1-40H
InChIKeyDUPIHWLHNWUBTD-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

1-N-(4-carbazol-9-ylphenyl)-4-N,4-N-bis[4-(N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-3-ylanilino)phenyl]-1-N-(4-dibenzofuran-3-ylphenyl)benzene-1,4-diamine
CID 88590509
N-[4-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-3-ylphenyl)-4-(4-phenylphenyl)aniline
CID 153314608
4-N-(4-carbazol-9-ylphenyl)-1-N-[4-(N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-3-ylanilino)phenyl]-1-N-[4-[4-(N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-3-ylanilino)phenyl]phenyl]-4-N-(4-dibenzofuran-3-ylphenyl)benzene-1,4-diamine;methane
CID 158188840
N-(4-dibenzofuran-3-ylphenyl)-N-phenyl-4-[9-(4-phenylphenyl)carbazol-3-yl]aniline
CID 90376825
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-3-ylphenyl)-4-(4-phenylphenyl)aniline
CID 148685552
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-4-(4-phenylphenyl)aniline
CID 153314610
N-(4-carbazol-9-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 131972152
N-[4-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-3-dibenzofuran-3-yl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 153012599
N-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-3-(3-phenylphenyl)aniline
CID 153315131
N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-3-yl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 153314933
4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170379960
N-(4-carbazol-9-ylphenyl)-N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-4-(4-phenylphenyl)aniline
CID 146578329

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-3-ylphenyl)-4-phenylaniline?
The IUPAC name of N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-3-ylphenyl)-4-phenylaniline (CID 147432395) is N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-3-ylphenyl)-4-phenylaniline.
What is the SMILES notation for N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-3-ylphenyl)-4-phenylaniline?
The canonical SMILES for N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-3-ylphenyl)-4-phenylaniline is c1ccc(-c2ccc(N(c3ccc(-c4cccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)c4)cc3)c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3)cc2)cc1.
What is the InChIKey of N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-3-ylphenyl)-4-phenylaniline?
The InChIKey is DUPIHWLHNWUBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40N2O/c1-2-11-41(12-3-1)42-21-30-49(31-22-42)61(51-34-25-45(26-35-51)48-29-38-56-55-17-6-9-20-59(55)63-60(56)40-48)50-32-23-43(24-33-50)46-13-10-14-47(39-46)44-27-36-52(37-28-44)62-57-18-7-4-15-53(57)54-16-5-8-19-58(54)62/h1-40H.
What are the key properties of N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-3-ylphenyl)-4-phenylaniline?
N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-3-ylphenyl)-4-phenylaniline 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-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-3-ylphenyl)-4-phenylaniline is sourced from PubChem (CID 147432395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).