4-(3-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-phenanthren-9-yldibenzofuran-3-amine

C62H38N2O2 — CID 176610078

IUPAC4-(3-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-phenanthren-9-yldibenzofuran-3-amine
SMILESc1cc(-c2cccc3c2oc2ccccc23)cc(N(c2ccc3c(oc4ccccc43)c2-c2cccc(-n3c4ccccc4c4ccccc43)c2)c2cc3ccccc3c3ccccc23)c1
InChIInChI=1S/C62H38N2O2/c1-2-21-44-40(16-1)38-57(47-23-4-3-22-46(44)47)64(42-19-13-17-39(36-42)45-28-15-29-52-50-26-7-11-32-58(50)65-61(45)52)56-35-34-53-51-27-8-12-33-59(51)66-62(53)60(56)41-18-14-20-43(37-41)63-54-30-9-5-24-48(54)49-25-6-10-31-55(49)63/h1-38H
InChIKeyCWTCKZWBRVSLSD-UHFFFAOYSA-N
MW843.00 g/mol
LogP17.69
Rot. Bonds6

About 4-(3-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-phenanthren-9-yldibenzofuran-3-amine

4-(3-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-phenanthren-9-yldibenzofuran-3-amine (PubChem CID 176610078) has the molecular formula C62H38N2O2 and a molecular weight of 843.00 g/mol. Its IUPAC name is 4-(3-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-phenanthren-9-yldibenzofuran-3-amine.

Molecular Properties

Compound Name4-(3-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-phenanthren-9-yldibenzofuran-3-amine
PubChem CID176610078
Molecular FormulaC62H38N2O2
Molecular Weight843.00 g/mol
Exact Mass842.29
IUPAC Name4-(3-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-phenanthren-9-yldibenzofuran-3-amine
SMILESc1cc(-c2cccc3c2oc2ccccc23)cc(N(c2ccc3c(oc4ccccc43)c2-c2cccc(-n3c4ccccc4c4ccccc43)c2)c2cc3ccccc3c3ccccc23)c1
InChIInChI=1S/C62H38N2O2/c1-2-21-44-40(16-1)38-57(47-23-4-3-22-46(44)47)64(42-19-13-17-39(36-42)45-28-15-29-52-50-26-7-11-32-58(50)65-61(45)52)56-35-34-53-51-27-8-12-33-59(51)66-62(53)60(56)41-18-14-20-43(37-41)63-54-30-9-5-24-48(54)49-25-6-10-31-55(49)63/h1-38H
InChIKeyCWTCKZWBRVSLSD-UHFFFAOYSA-N
XLogP17.69
TPSA34.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500843.00
LogP ≤ 517.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(3-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-3-amine
CID 176608956
4-(3-carbazol-9-ylphenyl)-N-(2-phenylphenyl)-N-(3-phenylphenyl)dibenzofuran-3-amine
CID 176609319
4-(3-carbazol-9-ylphenyl)-N-(3-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-3-amine
CID 176607817
4-(4-carbazol-9-ylphenyl)-N-(3-dibenzofuran-1-ylphenyl)-N-naphthalen-1-yldibenzofuran-3-amine
CID 176608726
N-[3-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)phenanthren-9-amine
CID 139545044
4-(3-carbazol-9-ylphenyl)-N,N-di(phenanthren-9-yl)dibenzofuran-1-amine
CID 176608248
4-(3-carbazol-9-ylphenyl)-N-(3-phenanthren-9-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-1-amine
CID 176608189
4-(4-carbazol-9-ylphenyl)-N-(3-phenanthren-2-ylphenyl)-N-phenyldibenzofuran-3-amine
CID 176608220
4-(3-carbazol-9-ylphenyl)-N-(2-dibenzofuran-1-ylphenyl)-N-phenanthren-9-yldibenzofuran-2-amine
CID 176609549
4-(3-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-naphthalen-2-yldibenzofuran-1-amine
CID 176609302
N-[3-(2-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-4-ylphenyl)-3-phenanthren-2-ylaniline
CID 139544384
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

Frequently Asked Questions

What is the IUPAC name of 4-(3-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-phenanthren-9-yldibenzofuran-3-amine?
The IUPAC name of 4-(3-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-phenanthren-9-yldibenzofuran-3-amine (CID 176610078) is 4-(3-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-phenanthren-9-yldibenzofuran-3-amine.
What is the SMILES notation for 4-(3-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-phenanthren-9-yldibenzofuran-3-amine?
The canonical SMILES for 4-(3-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-phenanthren-9-yldibenzofuran-3-amine is c1cc(-c2cccc3c2oc2ccccc23)cc(N(c2ccc3c(oc4ccccc43)c2-c2cccc(-n3c4ccccc4c4ccccc43)c2)c2cc3ccccc3c3ccccc23)c1.
What is the InChIKey of 4-(3-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-phenanthren-9-yldibenzofuran-3-amine?
The InChIKey is CWTCKZWBRVSLSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H38N2O2/c1-2-21-44-40(16-1)38-57(47-23-4-3-22-46(44)47)64(42-19-13-17-39(36-42)45-28-15-29-52-50-26-7-11-32-58(50)65-61(45)52)56-35-34-53-51-27-8-12-33-59(51)66-62(53)60(56)41-18-14-20-43(37-41)63-54-30-9-5-24-48(54)49-25-6-10-31-55(49)63/h1-38H.
What are the key properties of 4-(3-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-phenanthren-9-yldibenzofuran-3-amine?
4-(3-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-phenanthren-9-yldibenzofuran-3-amine has a molecular weight of 843.00 g/mol, XLogP of 17.69, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-phenanthren-9-yldibenzofuran-3-amine is sourced from PubChem (CID 176610078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).