N-[4-(2-carbazol-9-ylphenyl)phenyl]-3-dibenzofuran-3-yl-N-(4-phenanthren-9-ylphenyl)aniline

C62H40N2O — CID 153314732

IUPACN-[4-(2-carbazol-9-ylphenyl)phenyl]-3-dibenzofuran-3-yl-N-(4-phenanthren-9-ylphenyl)aniline
SMILESc1cc(-c2ccc3c(c2)oc2ccccc23)cc(N(c2ccc(-c3ccccc3-n3c4ccccc4c4ccccc43)cc2)c2ccc(-c3cc4ccccc4c4ccccc34)cc2)c1
InChIInChI=1S/C62H40N2O/c1-2-17-49-45(14-1)39-57(52-20-4-3-19-51(49)52)42-30-35-47(36-31-42)63(48-16-13-15-43(38-48)44-32-37-56-55-23-8-12-27-61(55)65-62(56)40-44)46-33-28-41(29-34-46)50-18-5-9-24-58(50)64-59-25-10-6-21-53(59)54-22-7-11-26-60(54)64/h1-40H
InChIKeyCOMGXTIZKRQQGK-UHFFFAOYSA-N
MW829.02 g/mol
LogP17.46
Rot. Bonds7

About N-[4-(2-carbazol-9-ylphenyl)phenyl]-3-dibenzofuran-3-yl-N-(4-phenanthren-9-ylphenyl)aniline

N-[4-(2-carbazol-9-ylphenyl)phenyl]-3-dibenzofuran-3-yl-N-(4-phenanthren-9-ylphenyl)aniline (PubChem CID 153314732) has the molecular formula C62H40N2O and a molecular weight of 829.02 g/mol. Its IUPAC name is N-[4-(2-carbazol-9-ylphenyl)phenyl]-3-dibenzofuran-3-yl-N-(4-phenanthren-9-ylphenyl)aniline.

Molecular Properties

Compound NameN-[4-(2-carbazol-9-ylphenyl)phenyl]-3-dibenzofuran-3-yl-N-(4-phenanthren-9-ylphenyl)aniline
PubChem CID153314732
Molecular FormulaC62H40N2O
Molecular Weight829.02 g/mol
Exact Mass828.31
IUPAC NameN-[4-(2-carbazol-9-ylphenyl)phenyl]-3-dibenzofuran-3-yl-N-(4-phenanthren-9-ylphenyl)aniline
SMILESc1cc(-c2ccc3c(c2)oc2ccccc23)cc(N(c2ccc(-c3ccccc3-n3c4ccccc4c4ccccc43)cc2)c2ccc(-c3cc4ccccc4c4ccccc34)cc2)c1
InChIInChI=1S/C62H40N2O/c1-2-17-49-45(14-1)39-57(52-20-4-3-19-51(49)52)42-30-35-47(36-31-42)63(48-16-13-15-43(38-48)44-32-37-56-55-23-8-12-27-61(55)65-62(56)40-44)46-33-28-41(29-34-46)50-18-5-9-24-58(50)64-59-25-10-6-21-53(59)54-22-7-11-26-60(54)64/h1-40H
InChIKeyCOMGXTIZKRQQGK-UHFFFAOYSA-N
XLogP17.46
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500829.02
LogP ≤ 517.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-3-ylphenyl)-3-phenylaniline
CID 153314590
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(2-dibenzofuran-3-ylphenyl)phenyl]-3-(3-phenylphenyl)aniline
CID 153314841
N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-phenanthren-2-ylphenyl)dibenzofuran-3-amine
CID 167322658
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-1-ylphenyl)phenanthren-2-amine
CID 155398702
3-[7-[10-[3-[4-(4-carbazol-9-ylphenyl)-N-(3-dibenzofuran-1-ylphenyl)anilino]phenyl]phenanthren-2-yl]dibenzofuran-1-yl]-N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)aniline
CID 155398070
4-[3-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-3-ylphenyl)-N-(4-phenanthren-9-ylphenyl)aniline
CID 153314938
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-3-ylphenyl)naphthalen-2-amine
CID 153190885
N-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-3-dibenzofuran-4-yl-N-(3-phenanthren-9-ylphenyl)aniline;N-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-3-dibenzofuran-4-yl-N-(4-phenanthren-9-ylphenyl)aniline
CID 157430442
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]naphthalen-1-amine;N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]naphthalen-2-amine;N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]phenanthren-2-amine;N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]phenanthren-9-amine
CID 158458035
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine
CID 166565654
N-[3-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)phenanthren-2-amine
CID 139545045
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(2-dibenzofuran-3-ylphenyl)phenyl]triphenylen-2-amine
CID 153314743

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-carbazol-9-ylphenyl)phenyl]-3-dibenzofuran-3-yl-N-(4-phenanthren-9-ylphenyl)aniline?
The IUPAC name of N-[4-(2-carbazol-9-ylphenyl)phenyl]-3-dibenzofuran-3-yl-N-(4-phenanthren-9-ylphenyl)aniline (CID 153314732) is N-[4-(2-carbazol-9-ylphenyl)phenyl]-3-dibenzofuran-3-yl-N-(4-phenanthren-9-ylphenyl)aniline.
What is the SMILES notation for N-[4-(2-carbazol-9-ylphenyl)phenyl]-3-dibenzofuran-3-yl-N-(4-phenanthren-9-ylphenyl)aniline?
The canonical SMILES for N-[4-(2-carbazol-9-ylphenyl)phenyl]-3-dibenzofuran-3-yl-N-(4-phenanthren-9-ylphenyl)aniline is c1cc(-c2ccc3c(c2)oc2ccccc23)cc(N(c2ccc(-c3ccccc3-n3c4ccccc4c4ccccc43)cc2)c2ccc(-c3cc4ccccc4c4ccccc34)cc2)c1.
What is the InChIKey of N-[4-(2-carbazol-9-ylphenyl)phenyl]-3-dibenzofuran-3-yl-N-(4-phenanthren-9-ylphenyl)aniline?
The InChIKey is COMGXTIZKRQQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H40N2O/c1-2-17-49-45(14-1)39-57(52-20-4-3-19-51(49)52)42-30-35-47(36-31-42)63(48-16-13-15-43(38-48)44-32-37-56-55-23-8-12-27-61(55)65-62(56)40-44)46-33-28-41(29-34-46)50-18-5-9-24-58(50)64-59-25-10-6-21-53(59)54-22-7-11-26-60(54)64/h1-40H.
What are the key properties of N-[4-(2-carbazol-9-ylphenyl)phenyl]-3-dibenzofuran-3-yl-N-(4-phenanthren-9-ylphenyl)aniline?
N-[4-(2-carbazol-9-ylphenyl)phenyl]-3-dibenzofuran-3-yl-N-(4-phenanthren-9-ylphenyl)aniline has a molecular weight of 829.02 g/mol, XLogP of 17.46, 7 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-ylphenyl)phenyl]-3-dibenzofuran-3-yl-N-(4-phenanthren-9-ylphenyl)aniline is sourced from PubChem (CID 153314732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).