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

C66H44N2O — CID 153314971

IUPACN-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-phenyl-N-[4-(4-phenyldibenzofuran-3-yl)phenyl]aniline
SMILESc1ccc(-c2ccccc2N(c2ccc(-c3ccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)cc3)cc2)c2ccc(-c3ccc4c(oc5ccccc54)c3-c3ccccc3)cc2)cc1
InChIInChI=1S/C66H44N2O/c1-3-16-48(17-4-1)55-22-7-11-26-61(55)67(53-40-36-49(37-41-53)56-42-43-60-59-25-10-14-29-64(59)69-66(60)65(56)50-18-5-2-6-19-50)52-38-34-46(35-39-52)45-30-32-47(33-31-45)51-20-15-21-54(44-51)68-62-27-12-8-23-57(62)58-24-9-13-28-63(58)68/h1-44H
InChIKeyHLOZGNISUMBGAM-UHFFFAOYSA-N
MW881.09 g/mol
LogP18.49
Rot. Bonds9

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

N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-phenyl-N-[4-(4-phenyldibenzofuran-3-yl)phenyl]aniline (PubChem CID 153314971) has the molecular formula C66H44N2O and a molecular weight of 881.09 g/mol. Its IUPAC name is N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-phenyl-N-[4-(4-phenyldibenzofuran-3-yl)phenyl]aniline.

Molecular Properties

Compound NameN-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-phenyl-N-[4-(4-phenyldibenzofuran-3-yl)phenyl]aniline
PubChem CID153314971
Molecular FormulaC66H44N2O
Molecular Weight881.09 g/mol
Exact Mass880.35
IUPAC NameN-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-phenyl-N-[4-(4-phenyldibenzofuran-3-yl)phenyl]aniline
SMILESc1ccc(-c2ccccc2N(c2ccc(-c3ccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)cc3)cc2)c2ccc(-c3ccc4c(oc5ccccc54)c3-c3ccccc3)cc2)cc1
InChIInChI=1S/C66H44N2O/c1-3-16-48(17-4-1)55-22-7-11-26-61(55)67(53-40-36-49(37-41-53)56-42-43-60-59-25-10-14-29-64(59)69-66(60)65(56)50-18-5-2-6-19-50)52-38-34-46(35-39-52)45-30-32-47(33-31-45)51-20-15-21-54(44-51)68-62-27-12-8-23-57(62)58-24-9-13-28-63(58)68/h1-44H
InChIKeyHLOZGNISUMBGAM-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-(3-carbazol-9-ylphenyl)phenyl]-2-phenyl-N-[3-(4-phenyldibenzofuran-3-yl)phenyl]aniline
CID 153314668
N-[4-(3-carbazol-9-ylphenyl)phenyl]-2-(4-phenyldibenzofuran-3-yl)-N-(3-phenylphenyl)aniline
CID 153315097
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-phenyl-N-[4-(4-phenyldibenzofuran-1-yl)phenyl]aniline
CID 155398630
N-[4-(3-carbazol-9-ylphenyl)phenyl]-2-phenyl-N-[4-(7-phenyldibenzofuran-3-yl)phenyl]aniline
CID 153315203
N-[4-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-3-yl-N-[4-(2-phenylphenyl)phenyl]aniline
CID 149242744
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(2-dibenzofuran-3-ylphenyl)-2-phenylaniline
CID 153315084
4-(3-carbazol-9-ylphenyl)-N-(2-phenylphenyl)-N-(3-phenylphenyl)dibenzofuran-3-amine
CID 176609319
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-(7-phenyldibenzofuran-3-yl)-N-(4-phenylphenyl)aniline
CID 153314848
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-2-(4-phenylphenyl)aniline
CID 155398414
N-[4-(3-carbazol-9-ylphenyl)phenyl]-2-phenyl-N-[2-(7-phenyldibenzofuran-3-yl)phenyl]aniline
CID 153315098
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-phenyl-N-[2-(7-phenyldibenzofuran-3-yl)phenyl]aniline
CID 153314942

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-phenyl-N-[4-(4-phenyldibenzofuran-3-yl)phenyl]aniline?
The IUPAC name of N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-phenyl-N-[4-(4-phenyldibenzofuran-3-yl)phenyl]aniline (CID 153314971) is N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-phenyl-N-[4-(4-phenyldibenzofuran-3-yl)phenyl]aniline.
What is the SMILES notation for N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-phenyl-N-[4-(4-phenyldibenzofuran-3-yl)phenyl]aniline?
The canonical SMILES for N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-phenyl-N-[4-(4-phenyldibenzofuran-3-yl)phenyl]aniline is c1ccc(-c2ccccc2N(c2ccc(-c3ccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)cc3)cc2)c2ccc(-c3ccc4c(oc5ccccc54)c3-c3ccccc3)cc2)cc1.
What is the InChIKey of N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-phenyl-N-[4-(4-phenyldibenzofuran-3-yl)phenyl]aniline?
The InChIKey is HLOZGNISUMBGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H44N2O/c1-3-16-48(17-4-1)55-22-7-11-26-61(55)67(53-40-36-49(37-41-53)56-42-43-60-59-25-10-14-29-64(59)69-66(60)65(56)50-18-5-2-6-19-50)52-38-34-46(35-39-52)45-30-32-47(33-31-45)51-20-15-21-54(44-51)68-62-27-12-8-23-57(62)58-24-9-13-28-63(58)68/h1-44H.
What are the key properties of N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-phenyl-N-[4-(4-phenyldibenzofuran-3-yl)phenyl]aniline?
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-phenyl-N-[4-(4-phenyldibenzofuran-3-yl)phenyl]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-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-phenyl-N-[4-(4-phenyldibenzofuran-3-yl)phenyl]aniline is sourced from PubChem (CID 153314971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).