4-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-2,6-dimethyl-N-(4-naphthalen-2-ylphenyl)aniline

C60H42N2O — CID 146578269

IUPAC4-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-2,6-dimethyl-N-(4-naphthalen-2-ylphenyl)aniline
SMILESCc1cc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc(C)c1N(c1ccc(-c2ccc3ccccc3c2)cc1)c1ccc(-c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C60H42N2O/c1-39-35-47(45-15-11-16-50(38-45)62-56-22-8-5-17-52(56)53-18-6-9-23-57(53)62)36-40(2)59(39)61(48-31-27-42(28-32-48)46-26-25-41-13-3-4-14-44(41)37-46)49-33-29-43(30-34-49)51-20-12-21-55-54-19-7-10-24-58(54)63-60(51)55/h3-38H,1-2H3
InChIKeyNISHXNHQMQGBAY-UHFFFAOYSA-N
MW807.01 g/mol
LogP16.92
Rot. Bonds7

About 4-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-2,6-dimethyl-N-(4-naphthalen-2-ylphenyl)aniline

4-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-2,6-dimethyl-N-(4-naphthalen-2-ylphenyl)aniline (PubChem CID 146578269) has the molecular formula C60H42N2O and a molecular weight of 807.01 g/mol. Its IUPAC name is 4-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-2,6-dimethyl-N-(4-naphthalen-2-ylphenyl)aniline.

Molecular Properties

Compound Name4-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-2,6-dimethyl-N-(4-naphthalen-2-ylphenyl)aniline
PubChem CID146578269
Molecular FormulaC60H42N2O
Molecular Weight807.01 g/mol
Exact Mass806.33
IUPAC Name4-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-2,6-dimethyl-N-(4-naphthalen-2-ylphenyl)aniline
SMILESCc1cc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc(C)c1N(c1ccc(-c2ccc3ccccc3c2)cc1)c1ccc(-c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C60H42N2O/c1-39-35-47(45-15-11-16-50(38-45)62-56-22-8-5-17-52(56)53-18-6-9-23-57(53)62)36-40(2)59(39)61(48-31-27-42(28-32-48)46-26-25-41-13-3-4-14-44(41)37-46)49-33-29-43(30-34-49)51-20-12-21-55-54-19-7-10-24-58(54)63-60(51)55/h3-38H,1-2H3
InChIKeyNISHXNHQMQGBAY-UHFFFAOYSA-N
XLogP16.92
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500807.01
LogP ≤ 516.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-carbazol-9-ylphenyl)-N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)aniline;N-(4-carbazol-9-ylphenyl)-4-(3-naphthalen-2-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]aniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-(3-dibenzofuran-4-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 159453315
4-(3-carbazol-9-ylphenyl)-N-(2,6-dimethyl-4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 176608337
3-carbazol-9-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline;3-carbazol-9-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline;3-carbazol-9-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 158979073
4-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-phenylaniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)naphthalen-1-amine;N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)naphthalen-2-amine
CID 158717061
N-[4-(2-carbazol-9-yl-4-phenylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-2-ylaniline
CID 139545467
N-(4-dibenzofuran-4-ylphenyl)-3-(3-fluorocarbazol-9-yl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 169073589
N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-4-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 139545447
4-(3-carbazol-9-ylphenyl)-2,6-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 146578828
N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-N-[4-[3-(3-phenylphenyl)phenyl]phenyl]aniline
CID 88862471
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-3-naphthalen-1-ylaniline
CID 146578264
N-(4-carbazol-9-ylphenyl)-4-naphthalen-2-yl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline
CID 168804792
N-[4-[4-[3-dibenzofuran-4-yl-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 121443649

Frequently Asked Questions

What is the IUPAC name of 4-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-2,6-dimethyl-N-(4-naphthalen-2-ylphenyl)aniline?
The IUPAC name of 4-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-2,6-dimethyl-N-(4-naphthalen-2-ylphenyl)aniline (CID 146578269) is 4-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-2,6-dimethyl-N-(4-naphthalen-2-ylphenyl)aniline.
What is the SMILES notation for 4-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-2,6-dimethyl-N-(4-naphthalen-2-ylphenyl)aniline?
The canonical SMILES for 4-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-2,6-dimethyl-N-(4-naphthalen-2-ylphenyl)aniline is Cc1cc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc(C)c1N(c1ccc(-c2ccc3ccccc3c2)cc1)c1ccc(-c2cccc3c2oc2ccccc23)cc1.
What is the InChIKey of 4-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-2,6-dimethyl-N-(4-naphthalen-2-ylphenyl)aniline?
The InChIKey is NISHXNHQMQGBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H42N2O/c1-39-35-47(45-15-11-16-50(38-45)62-56-22-8-5-17-52(56)53-18-6-9-23-57(53)62)36-40(2)59(39)61(48-31-27-42(28-32-48)46-26-25-41-13-3-4-14-44(41)37-46)49-33-29-43(30-34-49)51-20-12-21-55-54-19-7-10-24-58(54)63-60(51)55/h3-38H,1-2H3.
What are the key properties of 4-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-2,6-dimethyl-N-(4-naphthalen-2-ylphenyl)aniline?
4-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-2,6-dimethyl-N-(4-naphthalen-2-ylphenyl)aniline has a molecular weight of 807.01 g/mol, XLogP of 16.92, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-2,6-dimethyl-N-(4-naphthalen-2-ylphenyl)aniline is sourced from PubChem (CID 146578269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).