N-(4-phenanthren-2-ylphenyl)-2-(3-phenyl-1-benzofuran-2-yl)-N-[4-(4-phenylphenyl)phenyl]aniline

C58H39NO — CID 170402015

IUPACN-(4-phenanthren-2-ylphenyl)-2-(3-phenyl-1-benzofuran-2-yl)-N-[4-(4-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc6c(ccc7ccccc76)c5)cc4)c4ccccc4-c4oc5ccccc5c4-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C58H39NO/c1-3-13-40(14-4-1)41-23-25-42(26-24-41)43-29-34-49(35-30-43)59(50-36-31-44(32-37-50)47-33-38-52-48(39-47)28-27-45-15-7-8-18-51(45)52)55-21-11-9-19-53(55)58-57(46-16-5-2-6-17-46)54-20-10-12-22-56(54)60-58/h1-39H
InChIKeyXFJWUBXAPXBBMK-UHFFFAOYSA-N
MW765.96 g/mol
LogP16.54
Rot. Bonds8

About N-(4-phenanthren-2-ylphenyl)-2-(3-phenyl-1-benzofuran-2-yl)-N-[4-(4-phenylphenyl)phenyl]aniline

N-(4-phenanthren-2-ylphenyl)-2-(3-phenyl-1-benzofuran-2-yl)-N-[4-(4-phenylphenyl)phenyl]aniline (PubChem CID 170402015) has the molecular formula C58H39NO and a molecular weight of 765.96 g/mol. Its IUPAC name is N-(4-phenanthren-2-ylphenyl)-2-(3-phenyl-1-benzofuran-2-yl)-N-[4-(4-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound NameN-(4-phenanthren-2-ylphenyl)-2-(3-phenyl-1-benzofuran-2-yl)-N-[4-(4-phenylphenyl)phenyl]aniline
PubChem CID170402015
Molecular FormulaC58H39NO
Molecular Weight765.96 g/mol
Exact Mass765.30
IUPAC NameN-(4-phenanthren-2-ylphenyl)-2-(3-phenyl-1-benzofuran-2-yl)-N-[4-(4-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc6c(ccc7ccccc76)c5)cc4)c4ccccc4-c4oc5ccccc5c4-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C58H39NO/c1-3-13-40(14-4-1)41-23-25-42(26-24-41)43-29-34-49(35-30-43)59(50-36-31-44(32-37-50)47-33-38-52-48(39-47)28-27-45-15-7-8-18-51(45)52)55-21-11-9-19-53(55)58-57(46-16-5-2-6-17-46)54-20-10-12-22-56(54)60-58/h1-39H
InChIKeyXFJWUBXAPXBBMK-UHFFFAOYSA-N
XLogP16.54
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500765.96
LogP ≤ 516.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-2-(3-phenyl-1-benzofuran-2-yl)aniline
CID 170401915
N-phenyl-2-(3-phenyl-1-benzofuran-2-yl)-N-(4-phenylphenyl)aniline
CID 170401910
N-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-2-(3-phenyl-1-benzofuran-2-yl)aniline
CID 170401905
N-naphthalen-1-yl-N-[4-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]phenyl]phenanthren-2-amine
CID 170401768
N-(4-phenanthren-2-ylphenyl)-N-[4-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)aniline
CID 170401634
N-[4-(3-naphthalen-2-ylphenyl)phenyl]-2-phenyl-N-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]aniline
CID 170402264
N-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]-N-[4-(2-phenylphenyl)phenyl]naphthalen-1-amine
CID 170399193
N-(4-phenanthren-2-ylphenyl)-3-phenyl-N-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]aniline
CID 170526121
N-phenyl-N-[2-(3-phenyl-1-benzofuran-2-yl)phenyl]naphthalen-1-amine
CID 170526305
N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]naphthalen-1-amine
CID 170402291
N-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-2-amine
CID 170399133
N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-phenanthren-2-ylphenyl)dibenzofuran-2-amine
CID 169062264

Frequently Asked Questions

What is the IUPAC name of N-(4-phenanthren-2-ylphenyl)-2-(3-phenyl-1-benzofuran-2-yl)-N-[4-(4-phenylphenyl)phenyl]aniline?
The IUPAC name of N-(4-phenanthren-2-ylphenyl)-2-(3-phenyl-1-benzofuran-2-yl)-N-[4-(4-phenylphenyl)phenyl]aniline (CID 170402015) is N-(4-phenanthren-2-ylphenyl)-2-(3-phenyl-1-benzofuran-2-yl)-N-[4-(4-phenylphenyl)phenyl]aniline.
What is the SMILES notation for N-(4-phenanthren-2-ylphenyl)-2-(3-phenyl-1-benzofuran-2-yl)-N-[4-(4-phenylphenyl)phenyl]aniline?
The canonical SMILES for N-(4-phenanthren-2-ylphenyl)-2-(3-phenyl-1-benzofuran-2-yl)-N-[4-(4-phenylphenyl)phenyl]aniline is c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc6c(ccc7ccccc76)c5)cc4)c4ccccc4-c4oc5ccccc5c4-c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of N-(4-phenanthren-2-ylphenyl)-2-(3-phenyl-1-benzofuran-2-yl)-N-[4-(4-phenylphenyl)phenyl]aniline?
The InChIKey is XFJWUBXAPXBBMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H39NO/c1-3-13-40(14-4-1)41-23-25-42(26-24-41)43-29-34-49(35-30-43)59(50-36-31-44(32-37-50)47-33-38-52-48(39-47)28-27-45-15-7-8-18-51(45)52)55-21-11-9-19-53(55)58-57(46-16-5-2-6-17-46)54-20-10-12-22-56(54)60-58/h1-39H.
What are the key properties of N-(4-phenanthren-2-ylphenyl)-2-(3-phenyl-1-benzofuran-2-yl)-N-[4-(4-phenylphenyl)phenyl]aniline?
N-(4-phenanthren-2-ylphenyl)-2-(3-phenyl-1-benzofuran-2-yl)-N-[4-(4-phenylphenyl)phenyl]aniline has a molecular weight of 765.96 g/mol, XLogP of 16.54, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenanthren-2-ylphenyl)-2-(3-phenyl-1-benzofuran-2-yl)-N-[4-(4-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 170402015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).