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

C64H42N2O — CID 171764248

IUPACN-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-4-(4-naphthalen-1-ylphenyl)aniline
SMILESc1cc(-c2ccc(N(c3ccc(-c4ccc(-c5cccc6ccccc56)cc4)cc3)c3ccc(-c4cccc5oc6ccccc6c45)cc3)cc2)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C64H42N2O/c1-2-16-54-46(12-1)13-10-20-55(54)47-28-26-43(27-29-47)44-30-36-50(37-31-44)65(52-40-34-48(35-41-52)56-21-11-25-63-64(56)59-19-5-8-24-62(59)67-63)51-38-32-45(33-39-51)49-14-9-15-53(42-49)66-60-22-6-3-17-57(60)58-18-4-7-23-61(58)66/h1-42H
InChIKeyAAEUAAYEKCIREI-UHFFFAOYSA-N
MW855.05 g/mol
LogP17.97
Rot. Bonds8

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

N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-4-(4-naphthalen-1-ylphenyl)aniline (PubChem CID 171764248) has the molecular formula C64H42N2O and a molecular weight of 855.05 g/mol. Its IUPAC name is N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-4-(4-naphthalen-1-ylphenyl)aniline.

Molecular Properties

Compound NameN-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-4-(4-naphthalen-1-ylphenyl)aniline
PubChem CID171764248
Molecular FormulaC64H42N2O
Molecular Weight855.05 g/mol
Exact Mass854.33
IUPAC NameN-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-4-(4-naphthalen-1-ylphenyl)aniline
SMILESc1cc(-c2ccc(N(c3ccc(-c4ccc(-c5cccc6ccccc56)cc4)cc3)c3ccc(-c4cccc5oc6ccccc6c45)cc3)cc2)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C64H42N2O/c1-2-16-54-46(12-1)13-10-20-55(54)47-28-26-43(27-29-47)44-30-36-50(37-31-44)65(52-40-34-48(35-41-52)56-21-11-25-63-64(56)59-19-5-8-24-62(59)67-63)51-38-32-45(33-39-51)49-14-9-15-53(42-49)66-60-22-6-3-17-57(60)58-18-4-7-23-61(58)66/h1-42H
InChIKeyAAEUAAYEKCIREI-UHFFFAOYSA-N
XLogP17.97
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500855.05
LogP ≤ 517.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline
CID 155398415
3-carbazol-9-yl-N-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline
CID 155398643
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-1-ylphenyl)-4-(4-phenylphenyl)aniline
CID 155398223
4-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-N-phenylaniline
CID 155398448
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-1-ylphenyl)naphthalen-2-amine
CID 155398648
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-5-naphthalen-1-yl-2-phenylaniline
CID 167234831
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-3-(4-phenylphenyl)aniline
CID 155398161
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-3-naphthalen-1-ylaniline
CID 155398157
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-1-ylphenyl)-3-(3-phenylphenyl)aniline
CID 155398231
N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-3-dibenzofuran-1-yl-N-(3-naphthalen-1-ylphenyl)aniline
CID 155398218
N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-(4-dibenzofuran-3-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-(4-dibenzofuran-3-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-4-phenylaniline
CID 160869383
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-3-phenylaniline
CID 155398563

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-4-(4-naphthalen-1-ylphenyl)aniline?
The IUPAC name of N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-4-(4-naphthalen-1-ylphenyl)aniline (CID 171764248) is N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-4-(4-naphthalen-1-ylphenyl)aniline.
What is the SMILES notation for N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-4-(4-naphthalen-1-ylphenyl)aniline?
The canonical SMILES for N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-4-(4-naphthalen-1-ylphenyl)aniline is c1cc(-c2ccc(N(c3ccc(-c4ccc(-c5cccc6ccccc56)cc4)cc3)c3ccc(-c4cccc5oc6ccccc6c45)cc3)cc2)cc(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-4-(4-naphthalen-1-ylphenyl)aniline?
The InChIKey is AAEUAAYEKCIREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H42N2O/c1-2-16-54-46(12-1)13-10-20-55(54)47-28-26-43(27-29-47)44-30-36-50(37-31-44)65(52-40-34-48(35-41-52)56-21-11-25-63-64(56)59-19-5-8-24-62(59)67-63)51-38-32-45(33-39-51)49-14-9-15-53(42-49)66-60-22-6-3-17-57(60)58-18-4-7-23-61(58)66/h1-42H.
What are the key properties of N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-4-(4-naphthalen-1-ylphenyl)aniline?
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-4-(4-naphthalen-1-ylphenyl)aniline has a molecular weight of 855.05 g/mol, XLogP of 17.97, 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]-N-(4-dibenzofuran-1-ylphenyl)-4-(4-naphthalen-1-ylphenyl)aniline is sourced from PubChem (CID 171764248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).