N-[4-(2-carbazol-9-yl-4-phenylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-2-naphthalen-2-ylaniline

C64H42N2O — CID 139544809

IUPACN-[4-(2-carbazol-9-yl-4-phenylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-2-naphthalen-2-ylaniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4ccccc4-c4ccc5ccccc5c4)cc3)c(-n3c4ccccc4c4ccccc43)c2)cc1
InChIInChI=1S/C64H42N2O/c1-2-15-43(16-3-1)48-35-40-53(62(42-48)66-60-26-11-7-20-55(60)56-21-8-12-27-61(56)66)45-31-36-50(37-32-45)65(59-25-10-6-19-52(59)49-30-29-44-17-4-5-18-47(44)41-49)51-38-33-46(34-39-51)54-23-14-24-58-57-22-9-13-28-63(57)67-64(54)58/h1-42H
InChIKeyXZZXJEIOKVLKDI-UHFFFAOYSA-N
MW855.05 g/mol
LogP17.97
Rot. Bonds8

About N-[4-(2-carbazol-9-yl-4-phenylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-2-naphthalen-2-ylaniline

N-[4-(2-carbazol-9-yl-4-phenylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-2-naphthalen-2-ylaniline (PubChem CID 139544809) has the molecular formula C64H42N2O and a molecular weight of 855.05 g/mol. Its IUPAC name is N-[4-(2-carbazol-9-yl-4-phenylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-2-naphthalen-2-ylaniline.

Molecular Properties

Compound NameN-[4-(2-carbazol-9-yl-4-phenylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-2-naphthalen-2-ylaniline
PubChem CID139544809
Molecular FormulaC64H42N2O
Molecular Weight855.05 g/mol
Exact Mass854.33
IUPAC NameN-[4-(2-carbazol-9-yl-4-phenylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-2-naphthalen-2-ylaniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4ccccc4-c4ccc5ccccc5c4)cc3)c(-n3c4ccccc4c4ccccc43)c2)cc1
InChIInChI=1S/C64H42N2O/c1-2-15-43(16-3-1)48-35-40-53(62(42-48)66-60-26-11-7-20-55(60)56-21-8-12-27-61(56)66)45-31-36-50(37-32-45)65(59-25-10-6-19-52(59)49-30-29-44-17-4-5-18-47(44)41-49)51-38-33-46(34-39-51)54-23-14-24-58-57-22-9-13-28-63(57)67-64(54)58/h1-42H
InChIKeyXZZXJEIOKVLKDI-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

N-[4-(2-carbazol-9-yl-4-phenylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-2-ylaniline
CID 139545467
N-[4-(2-carbazol-9-yl-4-phenylphenyl)phenyl]-N-(2-dibenzofuran-4-ylphenyl)naphthalen-2-amine
CID 139544828
N-[4-(2-carbazol-9-ylphenyl)phenyl]-4-(3-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline;N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-2-(4-phenylphenyl)aniline;N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-3-(4-phenylphenyl)aniline
CID 159481936
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-2-(3-phenylphenyl)aniline
CID 139545263
N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-4-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 139545447
N-[4-(2-carbazol-9-yl-4-phenylphenyl)phenyl]-N-(2-dibenzofuran-4-ylphenyl)-2-(4-phenylphenyl)aniline
CID 139545483
N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-naphthalen-2-ylphenyl)dibenzofuran-4-amine
CID 167322251
N-[4-(2-carbazol-9-yl-4-phenylphenyl)phenyl]-N-(2-dibenzofuran-4-ylphenyl)phenanthren-2-amine
CID 139544833
N-[4-(2-carbazol-9-yl-4-phenylphenyl)phenyl]-N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-4-phenylaniline
CID 139545367
N-(4-dibenzofuran-4-ylphenyl)-2-naphthalen-2-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 155374329
N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-dibenzofuran-4-ylphenyl)naphthalen-2-amine
CID 139545256
N-[4-(2-carbazol-9-yl-4-phenylphenyl)phenyl]-4-(3-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 139545368

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-carbazol-9-yl-4-phenylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-2-naphthalen-2-ylaniline?
The IUPAC name of N-[4-(2-carbazol-9-yl-4-phenylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-2-naphthalen-2-ylaniline (CID 139544809) is N-[4-(2-carbazol-9-yl-4-phenylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-2-naphthalen-2-ylaniline.
What is the SMILES notation for N-[4-(2-carbazol-9-yl-4-phenylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-2-naphthalen-2-ylaniline?
The canonical SMILES for N-[4-(2-carbazol-9-yl-4-phenylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-2-naphthalen-2-ylaniline is c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4ccccc4-c4ccc5ccccc5c4)cc3)c(-n3c4ccccc4c4ccccc43)c2)cc1.
What is the InChIKey of N-[4-(2-carbazol-9-yl-4-phenylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-2-naphthalen-2-ylaniline?
The InChIKey is XZZXJEIOKVLKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H42N2O/c1-2-15-43(16-3-1)48-35-40-53(62(42-48)66-60-26-11-7-20-55(60)56-21-8-12-27-61(56)66)45-31-36-50(37-32-45)65(59-25-10-6-19-52(59)49-30-29-44-17-4-5-18-47(44)41-49)51-38-33-46(34-39-51)54-23-14-24-58-57-22-9-13-28-63(57)67-64(54)58/h1-42H.
What are the key properties of N-[4-(2-carbazol-9-yl-4-phenylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-2-naphthalen-2-ylaniline?
N-[4-(2-carbazol-9-yl-4-phenylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-2-naphthalen-2-ylaniline 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-(2-carbazol-9-yl-4-phenylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-2-naphthalen-2-ylaniline is sourced from PubChem (CID 139544809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).