4-(3-carbazol-9-ylphenyl)-N-(2,6-dimethyl-4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine

C60H42N2O — CID 176608337

IUPAC4-(3-carbazol-9-ylphenyl)-N-(2,6-dimethyl-4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine
SMILESCc1cc(-c2ccc3ccccc3c2)cc(C)c1N(c1ccc(-c2ccccc2)cc1)c1ccc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)c2oc3ccccc3c12
InChIInChI=1S/C60H42N2O/c1-39-35-47(45-28-27-42-17-6-7-18-44(42)37-45)36-40(2)59(39)62(48-31-29-43(30-32-48)41-15-4-3-5-16-41)56-34-33-50(60-58(56)53-23-10-13-26-57(53)63-60)46-19-14-20-49(38-46)61-54-24-11-8-21-51(54)52-22-9-12-25-55(52)61/h3-38H,1-2H3
InChIKeyBMSCHFSDOBZFDO-UHFFFAOYSA-N
MW807.01 g/mol
LogP16.92
Rot. Bonds7

About 4-(3-carbazol-9-ylphenyl)-N-(2,6-dimethyl-4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine

4-(3-carbazol-9-ylphenyl)-N-(2,6-dimethyl-4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine (PubChem CID 176608337) has the molecular formula C60H42N2O and a molecular weight of 807.01 g/mol. Its IUPAC name is 4-(3-carbazol-9-ylphenyl)-N-(2,6-dimethyl-4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine.

Molecular Properties

Compound Name4-(3-carbazol-9-ylphenyl)-N-(2,6-dimethyl-4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine
PubChem CID176608337
Molecular FormulaC60H42N2O
Molecular Weight807.01 g/mol
Exact Mass806.33
IUPAC Name4-(3-carbazol-9-ylphenyl)-N-(2,6-dimethyl-4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine
SMILESCc1cc(-c2ccc3ccccc3c2)cc(C)c1N(c1ccc(-c2ccccc2)cc1)c1ccc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)c2oc3ccccc3c12
InChIInChI=1S/C60H42N2O/c1-39-35-47(45-28-27-42-17-6-7-18-44(42)37-45)36-40(2)59(39)62(48-31-29-43(30-32-48)41-15-4-3-5-16-41)56-34-33-50(60-58(56)53-23-10-13-26-57(53)63-60)46-19-14-20-49(38-46)61-54-24-11-8-21-51(54)52-22-9-12-25-55(52)61/h3-38H,1-2H3
InChIKeyBMSCHFSDOBZFDO-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-(3-naphthalen-2-ylphenyl)-N-phenyldibenzofuran-1-amine
CID 176609043
4-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-2,6-dimethyl-N-(4-naphthalen-2-ylphenyl)aniline
CID 146578269
4-(4-carbazol-9-ylphenyl)-N-(2,6-dimethyl-4-phenylphenyl)-N-phenyldibenzofuran-1-amine
CID 176609428
4-(3-carbazol-9-ylphenyl)-N-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine
CID 176608070
N-[4-(4-naphthalen-2-ylphenyl)phenyl]-4-phenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]dibenzofuran-1-amine
CID 168847677
N-[4-(4-naphthalen-2-ylphenyl)phenyl]-4-phenyl-N-[4-(9-phenylcarbazol-4-yl)naphthalen-1-yl]dibenzofuran-1-amine
CID 168848110
4-(3-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-naphthalen-2-yldibenzofuran-1-amine
CID 176609302
4-(3-carbazol-9-ylphenyl)-N-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine
CID 176609990
4-(2-carbazol-9-ylphenyl)-N-(2,6-dimethyl-4-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 176609415
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-(4-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine
CID 176609708
4-(3-carbazol-9-ylphenyl)-N-(3-phenanthren-9-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-1-amine
CID 176608189

Frequently Asked Questions

What is the IUPAC name of 4-(3-carbazol-9-ylphenyl)-N-(2,6-dimethyl-4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine?
The IUPAC name of 4-(3-carbazol-9-ylphenyl)-N-(2,6-dimethyl-4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine (CID 176608337) is 4-(3-carbazol-9-ylphenyl)-N-(2,6-dimethyl-4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine.
What is the SMILES notation for 4-(3-carbazol-9-ylphenyl)-N-(2,6-dimethyl-4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine?
The canonical SMILES for 4-(3-carbazol-9-ylphenyl)-N-(2,6-dimethyl-4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine is Cc1cc(-c2ccc3ccccc3c2)cc(C)c1N(c1ccc(-c2ccccc2)cc1)c1ccc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)c2oc3ccccc3c12.
What is the InChIKey of 4-(3-carbazol-9-ylphenyl)-N-(2,6-dimethyl-4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine?
The InChIKey is BMSCHFSDOBZFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H42N2O/c1-39-35-47(45-28-27-42-17-6-7-18-44(42)37-45)36-40(2)59(39)62(48-31-29-43(30-32-48)41-15-4-3-5-16-41)56-34-33-50(60-58(56)53-23-10-13-26-57(53)63-60)46-19-14-20-49(38-46)61-54-24-11-8-21-51(54)52-22-9-12-25-55(52)61/h3-38H,1-2H3.
What are the key properties of 4-(3-carbazol-9-ylphenyl)-N-(2,6-dimethyl-4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine?
4-(3-carbazol-9-ylphenyl)-N-(2,6-dimethyl-4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine 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-(2,6-dimethyl-4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine is sourced from PubChem (CID 176608337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).