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

C62H40N2O — CID 153314948

IUPACN-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-dibenzofuran-3-ylphenyl)phenanthren-3-amine
SMILESc1cc(-c2ccc(N(c3ccc4ccc5ccccc5c4c3)c3ccccc3-c3ccc4c(c3)oc3ccccc34)cc2)cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c1
InChIInChI=1S/C62H40N2O/c1-2-15-51-43(12-1)24-25-44-30-36-50(40-57(44)51)63(58-20-7-3-16-52(58)47-31-37-56-55-19-6-10-23-61(55)65-62(56)39-47)48-32-26-41(27-33-48)45-13-11-14-46(38-45)42-28-34-49(35-29-42)64-59-21-8-4-17-53(59)54-18-5-9-22-60(54)64/h1-40H
InChIKeyMETFKMZZFWDIAS-UHFFFAOYSA-N
MW829.02 g/mol
LogP17.46
Rot. Bonds7

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

N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-dibenzofuran-3-ylphenyl)phenanthren-3-amine (PubChem CID 153314948) has the molecular formula C62H40N2O and a molecular weight of 829.02 g/mol. Its IUPAC name is N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-dibenzofuran-3-ylphenyl)phenanthren-3-amine.

Molecular Properties

Compound NameN-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-dibenzofuran-3-ylphenyl)phenanthren-3-amine
PubChem CID153314948
Molecular FormulaC62H40N2O
Molecular Weight829.02 g/mol
Exact Mass828.31
IUPAC NameN-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-dibenzofuran-3-ylphenyl)phenanthren-3-amine
SMILESc1cc(-c2ccc(N(c3ccc4ccc5ccccc5c4c3)c3ccccc3-c3ccc4c(c3)oc3ccccc34)cc2)cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c1
InChIInChI=1S/C62H40N2O/c1-2-15-51-43(12-1)24-25-44-30-36-50(40-57(44)51)63(58-20-7-3-16-52(58)47-31-37-56-55-19-6-10-23-61(55)65-62(56)39-47)48-32-26-41(27-33-48)45-13-11-14-46(38-45)42-28-34-49(35-29-42)64-59-21-8-4-17-53(59)54-18-5-9-22-60(54)64/h1-40H
InChIKeyMETFKMZZFWDIAS-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-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-3-ylphenyl)-2-phenanthren-2-ylaniline
CID 147662052
N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-3-yl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 153314933
N-[4-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-3-yl-N-(4-phenanthren-2-ylphenyl)aniline
CID 153314977
N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-dibenzofuran-3-ylphenyl)phenanthren-9-amine
CID 153314804
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-3-yl-N-(3-phenanthren-2-ylphenyl)aniline
CID 153314580
N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-3-ylphenyl)-2-phenylaniline
CID 153314795
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(2-dibenzofuran-1-ylphenyl)phenanthren-3-amine
CID 155398716
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(2-dibenzofuran-3-ylphenyl)-2-phenanthren-2-ylaniline
CID 153314728
N-(3-carbazol-9-ylphenyl)-2-dibenzofuran-3-yl-N-(4-naphthalen-2-ylphenyl)aniline
CID 153314763
N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-3-yl-N-[2-(2-phenylphenyl)phenyl]aniline
CID 153314987
4-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-N-(4-phenanthren-2-ylphenyl)aniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-3-ylphenyl)-3-phenanthren-2-ylaniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-3-ylphenyl)-2-(4-phenylphenyl)aniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-3-ylphenyl)-3-(4-phenylphenyl)aniline
CID 158530680
N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-3-ylphenyl)-3-phenanthren-2-ylaniline
CID 147669790

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-dibenzofuran-3-ylphenyl)phenanthren-3-amine?
The IUPAC name of N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-dibenzofuran-3-ylphenyl)phenanthren-3-amine (CID 153314948) is N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-dibenzofuran-3-ylphenyl)phenanthren-3-amine.
What is the SMILES notation for N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-dibenzofuran-3-ylphenyl)phenanthren-3-amine?
The canonical SMILES for N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-dibenzofuran-3-ylphenyl)phenanthren-3-amine is c1cc(-c2ccc(N(c3ccc4ccc5ccccc5c4c3)c3ccccc3-c3ccc4c(c3)oc3ccccc34)cc2)cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c1.
What is the InChIKey of N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-dibenzofuran-3-ylphenyl)phenanthren-3-amine?
The InChIKey is METFKMZZFWDIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H40N2O/c1-2-15-51-43(12-1)24-25-44-30-36-50(40-57(44)51)63(58-20-7-3-16-52(58)47-31-37-56-55-19-6-10-23-61(55)65-62(56)39-47)48-32-26-41(27-33-48)45-13-11-14-46(38-45)42-28-34-49(35-29-42)64-59-21-8-4-17-53(59)54-18-5-9-22-60(54)64/h1-40H.
What are the key properties of N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-dibenzofuran-3-ylphenyl)phenanthren-3-amine?
N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-dibenzofuran-3-ylphenyl)phenanthren-3-amine 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-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-dibenzofuran-3-ylphenyl)phenanthren-3-amine is sourced from PubChem (CID 153314948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).