3-(9-dibenzofuran-1-yl-5,6-dihydrocarbazol-4-yl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline

C58H40N2O — CID 167196031

IUPAC3-(9-dibenzofuran-1-yl-5,6-dihydrocarbazol-4-yl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline
SMILESC1=Cc2c(c3c(-c4cccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6cccc7ccccc67)cc5)c4)cccc3n2-c2cccc3oc4ccccc4c23)CC1
InChIInChI=1S/C58H40N2O/c1-2-14-39(15-3-1)40-30-34-44(35-31-40)59(45-36-32-42(33-37-45)48-23-11-17-41-16-4-5-20-47(41)48)46-19-10-18-43(38-46)49-24-12-26-53-57(49)50-21-6-8-25-52(50)60(53)54-27-13-29-56-58(54)51-22-7-9-28-55(51)61-56/h1-5,7-20,22-38H,6,21H2
InChIKeyZBDWOZRFKWIWAM-UHFFFAOYSA-N
MW780.97 g/mol
LogP16.11
Rot. Bonds7

About 3-(9-dibenzofuran-1-yl-5,6-dihydrocarbazol-4-yl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline

3-(9-dibenzofuran-1-yl-5,6-dihydrocarbazol-4-yl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline (PubChem CID 167196031) has the molecular formula C58H40N2O and a molecular weight of 780.97 g/mol. Its IUPAC name is 3-(9-dibenzofuran-1-yl-5,6-dihydrocarbazol-4-yl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name3-(9-dibenzofuran-1-yl-5,6-dihydrocarbazol-4-yl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline
PubChem CID167196031
Molecular FormulaC58H40N2O
Molecular Weight780.97 g/mol
Exact Mass780.31
IUPAC Name3-(9-dibenzofuran-1-yl-5,6-dihydrocarbazol-4-yl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline
SMILESC1=Cc2c(c3c(-c4cccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6cccc7ccccc67)cc5)c4)cccc3n2-c2cccc3oc4ccccc4c23)CC1
InChIInChI=1S/C58H40N2O/c1-2-14-39(15-3-1)40-30-34-44(35-31-40)59(45-36-32-42(33-37-45)48-23-11-17-41-16-4-5-20-47(41)48)46-19-10-18-43(38-46)49-24-12-26-53-57(49)50-21-6-8-25-52(50)60(53)54-27-13-29-56-58(54)51-22-7-9-28-55(51)61-56/h1-5,7-20,22-38H,6,21H2
InChIKeyZBDWOZRFKWIWAM-UHFFFAOYSA-N
XLogP16.11
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500780.97
LogP ≤ 516.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(9-phenyl-5,6-dihydrocarbazol-4-yl)phenyl]-N-[2-(4-phenylphenyl)phenyl]phenanthren-2-amine
CID 167194900
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-3-naphthalen-1-ylaniline
CID 155398157
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-1-ylphenyl)-3-phenylaniline
CID 155649338
N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-3-dibenzofuran-1-yl-N-(3-naphthalen-1-ylphenyl)aniline
CID 155398218
3-carbazol-9-yl-N-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline
CID 155398643
N-(3-dibenzofuran-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]phenanthren-2-amine
CID 170535097
N-(3-dibenzofuran-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]naphthalen-1-amine
CID 170535027
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-1-ylphenyl)phenanthren-2-amine
CID 155398702
N-(3-dibenzofuran-1-ylphenyl)-5-naphthalen-1-yl-2-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167233850
3-dibenzofuran-2-yl-N-[4-(3,5-diphenylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 170535389
N-(3-dibenzofuran-1-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-3-(4-naphthalen-1-ylphenyl)aniline
CID 176810163
4-phenyl-9-[2-[2-(5-phenyl-3,4-dihydrocarbazol-9-yl)phenyl]phenyl]carbazole
CID 167285061

Frequently Asked Questions

What is the IUPAC name of 3-(9-dibenzofuran-1-yl-5,6-dihydrocarbazol-4-yl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline?
The IUPAC name of 3-(9-dibenzofuran-1-yl-5,6-dihydrocarbazol-4-yl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline (CID 167196031) is 3-(9-dibenzofuran-1-yl-5,6-dihydrocarbazol-4-yl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline.
What is the SMILES notation for 3-(9-dibenzofuran-1-yl-5,6-dihydrocarbazol-4-yl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline?
The canonical SMILES for 3-(9-dibenzofuran-1-yl-5,6-dihydrocarbazol-4-yl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline is C1=Cc2c(c3c(-c4cccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6cccc7ccccc67)cc5)c4)cccc3n2-c2cccc3oc4ccccc4c23)CC1.
What is the InChIKey of 3-(9-dibenzofuran-1-yl-5,6-dihydrocarbazol-4-yl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline?
The InChIKey is ZBDWOZRFKWIWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H40N2O/c1-2-14-39(15-3-1)40-30-34-44(35-31-40)59(45-36-32-42(33-37-45)48-23-11-17-41-16-4-5-20-47(41)48)46-19-10-18-43(38-46)49-24-12-26-53-57(49)50-21-6-8-25-52(50)60(53)54-27-13-29-56-58(54)51-22-7-9-28-55(51)61-56/h1-5,7-20,22-38H,6,21H2.
What are the key properties of 3-(9-dibenzofuran-1-yl-5,6-dihydrocarbazol-4-yl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline?
3-(9-dibenzofuran-1-yl-5,6-dihydrocarbazol-4-yl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline has a molecular weight of 780.97 g/mol, XLogP of 16.11, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9-dibenzofuran-1-yl-5,6-dihydrocarbazol-4-yl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 167196031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).