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

C62H40N2O — CID 153314728

IUPACN-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(2-dibenzofuran-3-ylphenyl)-2-phenanthren-2-ylaniline
SMILESc1cc(-c2ccc(N(c3ccccc3-c3ccc4c(ccc5ccccc54)c3)c3ccccc3-c3ccc4c(c3)oc3ccccc34)cc2)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C62H40N2O/c1-2-17-49-42(14-1)28-29-44-38-45(32-36-50(44)49)51-18-3-8-23-57(51)63(58-24-9-4-19-52(58)46-33-37-56-55-22-7-12-27-61(55)65-62(56)40-46)47-34-30-41(31-35-47)43-15-13-16-48(39-43)64-59-25-10-5-20-53(59)54-21-6-11-26-60(54)64/h1-40H
InChIKeyMVOBROBCPHMJPY-UHFFFAOYSA-N
MW829.02 g/mol
LogP17.46
Rot. Bonds7

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

N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(2-dibenzofuran-3-ylphenyl)-2-phenanthren-2-ylaniline (PubChem CID 153314728) has the molecular formula C62H40N2O and a molecular weight of 829.02 g/mol. Its IUPAC name is N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(2-dibenzofuran-3-ylphenyl)-2-phenanthren-2-ylaniline.

Molecular Properties

Compound NameN-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(2-dibenzofuran-3-ylphenyl)-2-phenanthren-2-ylaniline
PubChem CID153314728
Molecular FormulaC62H40N2O
Molecular Weight829.02 g/mol
Exact Mass828.31
IUPAC NameN-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(2-dibenzofuran-3-ylphenyl)-2-phenanthren-2-ylaniline
SMILESc1cc(-c2ccc(N(c3ccccc3-c3ccc4c(ccc5ccccc54)c3)c3ccccc3-c3ccc4c(c3)oc3ccccc34)cc2)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C62H40N2O/c1-2-17-49-42(14-1)28-29-44-38-45(32-36-50(44)49)51-18-3-8-23-57(51)63(58-24-9-4-19-52(58)46-33-37-56-55-22-7-12-27-61(55)65-62(56)40-46)47-34-30-41(31-35-47)43-15-13-16-48(39-43)64-59-25-10-5-20-53(59)54-21-6-11-26-60(54)64/h1-40H
InChIKeyMVOBROBCPHMJPY-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-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-3-yl-N-(4-phenanthren-2-ylphenyl)aniline
CID 153314977
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-3-yl-N-(3-phenanthren-2-ylphenyl)aniline
CID 153314580
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-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-3-yl-N-(4-phenanthren-9-ylphenyl)aniline
CID 153314660
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(2-dibenzofuran-3-ylphenyl)-2-phenylaniline
CID 153315084
N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-3-ylphenyl)-2-phenanthren-2-ylaniline
CID 147662052
N-[4-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-1-yl-N-(4-phenanthren-2-ylphenyl)aniline
CID 155398358
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-phenyl-N-[2-(7-phenyldibenzofuran-3-yl)phenyl]aniline
CID 153314942
N-[4-(3-carbazol-9-ylphenyl)phenyl]-2-phenyl-N-[2-(7-phenyldibenzofuran-3-yl)phenyl]aniline
CID 153315098
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]-N-(2-dibenzofuran-3-ylphenyl)phenanthren-9-amine
CID 153314804
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-3-yl-N-(2-naphthalen-1-ylphenyl)aniline;N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-dibenzofuran-3-ylphenyl)-2-phenylaniline;N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-3-yl-N-(3-phenylphenyl)aniline;N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-3-yl-N-(4-phenylphenyl)aniline
CID 158595337

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(2-dibenzofuran-3-ylphenyl)-2-phenanthren-2-ylaniline?
The IUPAC name of N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(2-dibenzofuran-3-ylphenyl)-2-phenanthren-2-ylaniline (CID 153314728) is N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(2-dibenzofuran-3-ylphenyl)-2-phenanthren-2-ylaniline.
What is the SMILES notation for N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(2-dibenzofuran-3-ylphenyl)-2-phenanthren-2-ylaniline?
The canonical SMILES for N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(2-dibenzofuran-3-ylphenyl)-2-phenanthren-2-ylaniline is c1cc(-c2ccc(N(c3ccccc3-c3ccc4c(ccc5ccccc54)c3)c3ccccc3-c3ccc4c(c3)oc3ccccc34)cc2)cc(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(2-dibenzofuran-3-ylphenyl)-2-phenanthren-2-ylaniline?
The InChIKey is MVOBROBCPHMJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H40N2O/c1-2-17-49-42(14-1)28-29-44-38-45(32-36-50(44)49)51-18-3-8-23-57(51)63(58-24-9-4-19-52(58)46-33-37-56-55-22-7-12-27-61(55)65-62(56)40-46)47-34-30-41(31-35-47)43-15-13-16-48(39-43)64-59-25-10-5-20-53(59)54-21-6-11-26-60(54)64/h1-40H.
What are the key properties of N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(2-dibenzofuran-3-ylphenyl)-2-phenanthren-2-ylaniline?
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(2-dibenzofuran-3-ylphenyl)-2-phenanthren-2-ylaniline 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-carbazol-9-ylphenyl)phenyl]-N-(2-dibenzofuran-3-ylphenyl)-2-phenanthren-2-ylaniline is sourced from PubChem (CID 153314728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).