N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-1-ylphenyl)-4-(4-phenylphenyl)aniline

C66H44N2O — CID 155398223

IUPACN-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-1-ylphenyl)-4-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6cccc(-n7c8ccccc8c8ccccc87)c6)cc5)cc4)c4ccc(-c5cccc6oc7ccccc7c56)cc4)cc3)cc2)cc1
InChIInChI=1S/C66H44N2O/c1-2-12-45(13-3-1)46-24-26-47(27-25-46)49-32-38-54(39-33-49)67(56-42-36-52(37-43-56)58-19-11-23-65-66(58)61-18-6-9-22-64(61)69-65)55-40-34-50(35-41-55)48-28-30-51(31-29-48)53-14-10-15-57(44-53)68-62-20-7-4-16-59(62)60-17-5-8-21-63(60)68/h1-44H
InChIKeyBCYDUJCBWCZYII-UHFFFAOYSA-N
MW881.09 g/mol
LogP18.49
Rot. Bonds9

About N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-1-ylphenyl)-4-(4-phenylphenyl)aniline

N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-1-ylphenyl)-4-(4-phenylphenyl)aniline (PubChem CID 155398223) 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]-N-(4-dibenzofuran-1-ylphenyl)-4-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-1-ylphenyl)-4-(4-phenylphenyl)aniline
PubChem CID155398223
Molecular FormulaC66H44N2O
Molecular Weight881.09 g/mol
Exact Mass880.35
IUPAC NameN-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-1-ylphenyl)-4-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6cccc(-n7c8ccccc8c8ccccc87)c6)cc5)cc4)c4ccc(-c5cccc6oc7ccccc7c56)cc4)cc3)cc2)cc1
InChIInChI=1S/C66H44N2O/c1-2-12-45(13-3-1)46-24-26-47(27-25-46)49-32-38-54(39-33-49)67(56-42-36-52(37-43-56)58-19-11-23-65-66(58)61-18-6-9-22-64(61)69-65)55-40-34-50(35-41-55)48-28-30-51(31-29-48)53-14-10-15-57(44-53)68-62-20-7-4-16-59(62)60-17-5-8-21-63(60)68/h1-44H
InChIKeyBCYDUJCBWCZYII-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

4-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-N-phenylaniline
CID 155398448
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-3-(4-phenylphenyl)aniline
CID 155398161
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-1-ylphenyl)-3-(3-phenylphenyl)aniline
CID 155398231
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-4-(4-naphthalen-1-ylphenyl)aniline
CID 171764248
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-3-phenylaniline
CID 155398563
4-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 155398444
3-carbazol-9-yl-N-(4-dibenzofuran-1-ylphenyl)-N-phenylaniline
CID 155397910
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-2-(4-phenylphenyl)aniline
CID 155398414
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-1-ylphenyl)naphthalen-2-amine
CID 155398648
4-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline
CID 155398415
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-1-yl-N-(4-phenylphenyl)aniline
CID 155398540
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-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-1-ylphenyl)-4-(4-phenylphenyl)aniline?
The IUPAC name of N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-1-ylphenyl)-4-(4-phenylphenyl)aniline (CID 155398223) is N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-1-ylphenyl)-4-(4-phenylphenyl)aniline.
What is the SMILES notation for N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-1-ylphenyl)-4-(4-phenylphenyl)aniline?
The canonical SMILES for N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-1-ylphenyl)-4-(4-phenylphenyl)aniline is c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6cccc(-n7c8ccccc8c8ccccc87)c6)cc5)cc4)c4ccc(-c5cccc6oc7ccccc7c56)cc4)cc3)cc2)cc1.
What is the InChIKey of N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-1-ylphenyl)-4-(4-phenylphenyl)aniline?
The InChIKey is BCYDUJCBWCZYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H44N2O/c1-2-12-45(13-3-1)46-24-26-47(27-25-46)49-32-38-54(39-33-49)67(56-42-36-52(37-43-56)58-19-11-23-65-66(58)61-18-6-9-22-64(61)69-65)55-40-34-50(35-41-55)48-28-30-51(31-29-48)53-14-10-15-57(44-53)68-62-20-7-4-16-59(62)60-17-5-8-21-63(60)68/h1-44H.
What are the key properties of N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-1-ylphenyl)-4-(4-phenylphenyl)aniline?
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-1-ylphenyl)-4-(4-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-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-1-ylphenyl)-4-(4-phenylphenyl)aniline is sourced from PubChem (CID 155398223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).