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

C66H44N2O — CID 153314841

IUPACN-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(2-dibenzofuran-3-ylphenyl)phenyl]-3-(3-phenylphenyl)aniline
SMILESc1ccc(-c2cccc(-c3cccc(N(c4ccc(-c5ccccc5-c5ccc6c(c5)oc5ccccc56)cc4)c4ccc(-c5ccccc5-n5c6ccccc6c6ccccc65)cc4)c3)c2)cc1
InChIInChI=1S/C66H44N2O/c1-2-16-45(17-3-1)48-18-14-19-49(42-48)50-20-15-21-54(43-50)67(52-37-32-46(33-38-52)55-22-4-5-23-56(55)51-36-41-61-60-27-9-13-31-65(60)69-66(61)44-51)53-39-34-47(35-40-53)57-24-6-10-28-62(57)68-63-29-11-7-25-58(63)59-26-8-12-30-64(59)68/h1-44H
InChIKeyDXOKBQIAIOTVEW-UHFFFAOYSA-N
MW881.09 g/mol
LogP18.49
Rot. Bonds9

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

N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(2-dibenzofuran-3-ylphenyl)phenyl]-3-(3-phenylphenyl)aniline (PubChem CID 153314841) has the molecular formula C66H44N2O and a molecular weight of 881.09 g/mol. Its IUPAC name is N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(2-dibenzofuran-3-ylphenyl)phenyl]-3-(3-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(2-dibenzofuran-3-ylphenyl)phenyl]-3-(3-phenylphenyl)aniline
PubChem CID153314841
Molecular FormulaC66H44N2O
Molecular Weight881.09 g/mol
Exact Mass880.35
IUPAC NameN-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(2-dibenzofuran-3-ylphenyl)phenyl]-3-(3-phenylphenyl)aniline
SMILESc1ccc(-c2cccc(-c3cccc(N(c4ccc(-c5ccccc5-c5ccc6c(c5)oc5ccccc56)cc4)c4ccc(-c5ccccc5-n5c6ccccc6c6ccccc65)cc4)c3)c2)cc1
InChIInChI=1S/C66H44N2O/c1-2-16-45(17-3-1)48-18-14-19-49(42-48)50-20-15-21-54(43-50)67(52-37-32-46(33-38-52)55-22-4-5-23-56(55)51-36-41-61-60-27-9-13-31-65(60)69-66(61)44-51)53-39-34-47(35-40-53)57-24-6-10-28-62(57)68-63-29-11-7-25-58(63)59-26-8-12-30-64(59)68/h1-44H
InChIKeyDXOKBQIAIOTVEW-UHFFFAOYSA-N
XLogP18.49
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500881.09
LogP ≤ 518.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-3-ylphenyl)-3-phenylaniline
CID 153314590
N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-3-dibenzofuran-4-yl-N-[4-(2-phenylphenyl)phenyl]aniline
CID 139544637
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-3-ylphenyl)-3-(2-phenylphenyl)aniline
CID 153314748
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-1-ylphenyl)-3-phenylaniline
CID 155649338
3-(2-carbazol-9-ylphenyl)-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 139544966
N-[3-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)-3-(4-phenylphenyl)aniline
CID 139544656
3-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 139544982
4-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(2-dibenzofuran-3-ylphenyl)phenyl]-N-phenylaniline
CID 153314587
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(2-dibenzofuran-3-ylphenyl)phenyl]triphenylen-2-amine
CID 153314743
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 142416213
N-[4-(2-carbazol-9-ylphenyl)phenyl]-3-dibenzofuran-3-yl-N-(4-phenanthren-9-ylphenyl)aniline
CID 153314732
N,N-bis(4-dibenzofuran-3-ylphenyl)-3-(2-phenylphenyl)aniline
CID 129130047

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(2-dibenzofuran-3-ylphenyl)phenyl]-3-(3-phenylphenyl)aniline?
The IUPAC name of N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(2-dibenzofuran-3-ylphenyl)phenyl]-3-(3-phenylphenyl)aniline (CID 153314841) is N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(2-dibenzofuran-3-ylphenyl)phenyl]-3-(3-phenylphenyl)aniline.
What is the SMILES notation for N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(2-dibenzofuran-3-ylphenyl)phenyl]-3-(3-phenylphenyl)aniline?
The canonical SMILES for N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(2-dibenzofuran-3-ylphenyl)phenyl]-3-(3-phenylphenyl)aniline is c1ccc(-c2cccc(-c3cccc(N(c4ccc(-c5ccccc5-c5ccc6c(c5)oc5ccccc56)cc4)c4ccc(-c5ccccc5-n5c6ccccc6c6ccccc65)cc4)c3)c2)cc1.
What is the InChIKey of N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(2-dibenzofuran-3-ylphenyl)phenyl]-3-(3-phenylphenyl)aniline?
The InChIKey is DXOKBQIAIOTVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H44N2O/c1-2-16-45(17-3-1)48-18-14-19-49(42-48)50-20-15-21-54(43-50)67(52-37-32-46(33-38-52)55-22-4-5-23-56(55)51-36-41-61-60-27-9-13-31-65(60)69-66(61)44-51)53-39-34-47(35-40-53)57-24-6-10-28-62(57)68-63-29-11-7-25-58(63)59-26-8-12-30-64(59)68/h1-44H.
What are the key properties of N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(2-dibenzofuran-3-ylphenyl)phenyl]-3-(3-phenylphenyl)aniline?
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(2-dibenzofuran-3-ylphenyl)phenyl]-3-(3-phenylphenyl)aniline has a molecular weight of 881.09 g/mol, XLogP of 18.49, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(2-dibenzofuran-3-ylphenyl)phenyl]-3-(3-phenylphenyl)aniline is sourced from PubChem (CID 153314841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).