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

C62H40N2O — CID 153314804

IUPACN-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-dibenzofuran-3-ylphenyl)phenanthren-9-amine
SMILESc1cc(-c2ccc(N(c3ccccc3-c3ccc4c(c3)oc3ccccc34)c3cc4ccccc4c4ccccc34)cc2)cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c1
InChIInChI=1S/C62H40N2O/c1-2-17-49-45(14-1)39-60(52-20-4-3-19-51(49)52)64(57-24-9-5-18-50(57)46-32-37-56-55-23-8-12-27-61(55)65-62(56)40-46)48-35-30-42(31-36-48)44-16-13-15-43(38-44)41-28-33-47(34-29-41)63-58-25-10-6-21-53(58)54-22-7-11-26-59(54)63/h1-40H
InChIKeyUYLJUONHPRILRZ-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-9-amine

N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-dibenzofuran-3-ylphenyl)phenanthren-9-amine (PubChem CID 153314804) 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-9-amine.

Molecular Properties

Compound NameN-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-dibenzofuran-3-ylphenyl)phenanthren-9-amine
PubChem CID153314804
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-9-amine
SMILESc1cc(-c2ccc(N(c3ccccc3-c3ccc4c(c3)oc3ccccc34)c3cc4ccccc4c4ccccc34)cc2)cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c1
InChIInChI=1S/C62H40N2O/c1-2-17-49-45(14-1)39-60(52-20-4-3-19-51(49)52)64(57-24-9-5-18-50(57)46-32-37-56-55-23-8-12-27-61(55)65-62(56)40-46)48-35-30-42(31-36-48)44-16-13-15-43(38-44)41-28-33-47(34-29-41)63-58-25-10-6-21-53(58)54-22-7-11-26-59(54)63/h1-40H
InChIKeyUYLJUONHPRILRZ-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]-2-dibenzofuran-3-yl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 153314933
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]-N-(2-dibenzofuran-3-ylphenyl)phenanthren-3-amine
CID 153314948
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(2-dibenzofuran-3-ylphenyl)-2-phenanthren-2-ylaniline
CID 153314728
N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-3-yl-N-[2-(2-phenylphenyl)phenyl]aniline
CID 153314987
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-3-yl-N-(4-phenanthren-9-ylphenyl)aniline
CID 153314660
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-(3-dibenzofuran-3-ylphenyl)-2-phenylaniline
CID 153314795
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(2-dibenzofuran-3-ylphenyl)-2-phenylaniline
CID 153315084
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(3-dibenzofuran-1-ylphenyl)phenyl]phenanthren-9-amine
CID 155398674
N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-dibenzofuran-1-ylphenyl)-2-naphthalen-2-ylaniline
CID 155398770
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-3-yl-N-(3-phenanthren-2-ylphenyl)aniline
CID 153314580

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-dibenzofuran-3-ylphenyl)phenanthren-9-amine?
The IUPAC name of N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-dibenzofuran-3-ylphenyl)phenanthren-9-amine (CID 153314804) is N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-dibenzofuran-3-ylphenyl)phenanthren-9-amine.
What is the SMILES notation for N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-dibenzofuran-3-ylphenyl)phenanthren-9-amine?
The canonical SMILES for N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-dibenzofuran-3-ylphenyl)phenanthren-9-amine is c1cc(-c2ccc(N(c3ccccc3-c3ccc4c(c3)oc3ccccc34)c3cc4ccccc4c4ccccc34)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-9-amine?
The InChIKey is UYLJUONHPRILRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H40N2O/c1-2-17-49-45(14-1)39-60(52-20-4-3-19-51(49)52)64(57-24-9-5-18-50(57)46-32-37-56-55-23-8-12-27-61(55)65-62(56)40-46)48-35-30-42(31-36-48)44-16-13-15-43(38-44)41-28-33-47(34-29-41)63-58-25-10-6-21-53(58)54-22-7-11-26-59(54)63/h1-40H.
What are the key properties of N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-dibenzofuran-3-ylphenyl)phenanthren-9-amine?
N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-dibenzofuran-3-ylphenyl)phenanthren-9-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-9-amine is sourced from PubChem (CID 153314804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).