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

C64H42N2O — CID 155398218

IUPACN-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-3-dibenzofuran-1-yl-N-(3-naphthalen-1-ylphenyl)aniline
SMILESc1cc(-c2ccc(N(c3cccc(-c4cccc5ccccc45)c3)c3cccc(-c4cccc5oc6ccccc6c45)c3)cc2)cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c1
InChIInChI=1S/C64H42N2O/c1-2-22-54-45(14-1)15-12-26-55(54)48-18-10-20-52(41-48)65(53-21-11-19-49(42-53)56-27-13-31-63-64(56)59-25-5-8-30-62(59)67-63)50-36-32-43(33-37-50)46-16-9-17-47(40-46)44-34-38-51(39-35-44)66-60-28-6-3-23-57(60)58-24-4-7-29-61(58)66/h1-42H
InChIKeySMWRPFHUCHLAFA-UHFFFAOYSA-N
MW855.05 g/mol
LogP17.97
Rot. Bonds8

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

N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-3-dibenzofuran-1-yl-N-(3-naphthalen-1-ylphenyl)aniline (PubChem CID 155398218) has the molecular formula C64H42N2O and a molecular weight of 855.05 g/mol. Its IUPAC name is N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-3-dibenzofuran-1-yl-N-(3-naphthalen-1-ylphenyl)aniline.

Molecular Properties

Compound NameN-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-3-dibenzofuran-1-yl-N-(3-naphthalen-1-ylphenyl)aniline
PubChem CID155398218
Molecular FormulaC64H42N2O
Molecular Weight855.05 g/mol
Exact Mass854.33
IUPAC NameN-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-3-dibenzofuran-1-yl-N-(3-naphthalen-1-ylphenyl)aniline
SMILESc1cc(-c2ccc(N(c3cccc(-c4cccc5ccccc45)c3)c3cccc(-c4cccc5oc6ccccc6c45)c3)cc2)cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c1
InChIInChI=1S/C64H42N2O/c1-2-22-54-45(14-1)15-12-26-55(54)48-18-10-20-52(41-48)65(53-21-11-19-49(42-53)56-27-13-31-63-64(56)59-25-5-8-30-62(59)67-63)50-36-32-43(33-37-50)46-16-9-17-47(40-46)44-34-38-51(39-35-44)66-60-28-6-3-23-57(60)58-24-4-7-29-61(58)66/h1-42H
InChIKeySMWRPFHUCHLAFA-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-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-3-naphthalen-1-ylaniline
CID 155398157
N-[4-(4-carbazol-9-ylphenyl)phenyl]-3-dibenzofuran-1-yl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 155649267
N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-1-ylphenyl)naphthalen-2-amine
CID 155397954
3-carbazol-9-yl-N-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline
CID 155398643
N-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-1-ylphenyl)-3-naphthalen-2-ylaniline
CID 155398374
N-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-3-dibenzofuran-1-yl-N-phenylaniline
CID 155398130
N-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-1-ylphenyl)phenanthren-2-amine
CID 155397942
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-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(3-dibenzofuran-1-ylphenyl)phenyl]naphthalen-2-amine
CID 155649331
N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-3-phenylaniline
CID 155649256
N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-3-(4-phenylphenyl)aniline
CID 155397977
N-(4-carbazol-9-ylphenyl)-2-dibenzofuran-1-yl-N-[3-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 167325205

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-3-dibenzofuran-1-yl-N-(3-naphthalen-1-ylphenyl)aniline?
The IUPAC name of N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-3-dibenzofuran-1-yl-N-(3-naphthalen-1-ylphenyl)aniline (CID 155398218) is N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-3-dibenzofuran-1-yl-N-(3-naphthalen-1-ylphenyl)aniline.
What is the SMILES notation for N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-3-dibenzofuran-1-yl-N-(3-naphthalen-1-ylphenyl)aniline?
The canonical SMILES for N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-3-dibenzofuran-1-yl-N-(3-naphthalen-1-ylphenyl)aniline is c1cc(-c2ccc(N(c3cccc(-c4cccc5ccccc45)c3)c3cccc(-c4cccc5oc6ccccc6c45)c3)cc2)cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c1.
What is the InChIKey of N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-3-dibenzofuran-1-yl-N-(3-naphthalen-1-ylphenyl)aniline?
The InChIKey is SMWRPFHUCHLAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H42N2O/c1-2-22-54-45(14-1)15-12-26-55(54)48-18-10-20-52(41-48)65(53-21-11-19-49(42-53)56-27-13-31-63-64(56)59-25-5-8-30-62(59)67-63)50-36-32-43(33-37-50)46-16-9-17-47(40-46)44-34-38-51(39-35-44)66-60-28-6-3-23-57(60)58-24-4-7-29-61(58)66/h1-42H.
What are the key properties of N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-3-dibenzofuran-1-yl-N-(3-naphthalen-1-ylphenyl)aniline?
N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-3-dibenzofuran-1-yl-N-(3-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-(4-carbazol-9-ylphenyl)phenyl]phenyl]-3-dibenzofuran-1-yl-N-(3-naphthalen-1-ylphenyl)aniline is sourced from PubChem (CID 155398218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).