N-(4-phenanthren-9-ylphenyl)-5-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine

C54H35NO — CID 170301497

IUPACN-(4-phenanthren-9-ylphenyl)-5-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cc5ccccc5c5ccccc45)cc3)c3ccc4oc5cc(-c6ccccc6)c6ccccc6c5c4c3)cc2)cc1
InChIInChI=1S/C54H35NO/c1-3-13-36(14-4-1)37-23-27-41(28-24-37)55(42-29-25-39(26-30-42)49-33-40-17-7-8-18-44(40)45-19-9-10-20-46(45)49)43-31-32-52-51(34-43)54-48-22-12-11-21-47(48)50(35-53(54)56-52)38-15-5-2-6-16-38/h1-35H
InChIKeyZAXQVWYYIBATDQ-UHFFFAOYSA-N
MW713.88 g/mol
LogP15.52
Rot. Bonds6

About N-(4-phenanthren-9-ylphenyl)-5-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine

N-(4-phenanthren-9-ylphenyl)-5-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine (PubChem CID 170301497) has the molecular formula C54H35NO and a molecular weight of 713.88 g/mol. Its IUPAC name is N-(4-phenanthren-9-ylphenyl)-5-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine.

Molecular Properties

Compound NameN-(4-phenanthren-9-ylphenyl)-5-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine
PubChem CID170301497
Molecular FormulaC54H35NO
Molecular Weight713.88 g/mol
Exact Mass713.27
IUPAC NameN-(4-phenanthren-9-ylphenyl)-5-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cc5ccccc5c5ccccc45)cc3)c3ccc4oc5cc(-c6ccccc6)c6ccccc6c5c4c3)cc2)cc1
InChIInChI=1S/C54H35NO/c1-3-13-36(14-4-1)37-23-27-41(28-24-37)55(42-29-25-39(26-30-42)49-33-40-17-7-8-18-44(40)45-19-9-10-20-46(45)49)43-31-32-52-51(34-43)54-48-22-12-11-21-47(48)50(35-53(54)56-52)38-15-5-2-6-16-38/h1-35H
InChIKeyZAXQVWYYIBATDQ-UHFFFAOYSA-N
XLogP15.52
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500713.88
LogP ≤ 515.52
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-dibenzofuran-2-yl-5-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine
CID 170301400
5-naphthalen-1-yl-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine
CID 176844261
N-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-b]pyridin-8-amine
CID 166862183
N-(4-naphtho[2,1-b][1]benzofuran-5-ylphenyl)-N,4-diphenylaniline
CID 170030744
N-dibenzofuran-1-yl-5-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine
CID 170301401
3-N-dibenzofuran-2-yl-5-phenanthren-9-yl-3-N-(2-phenylphenyl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine
CID 162770449
N-[4-(3-methyldibenzofuran-1-yl)phenyl]-N-(4-phenanthren-9-ylphenyl)-4-phenylaniline
CID 176757216
4-naphtho[2,1-b][1]benzofuran-3-yl-N-(4-phenanthren-9-ylphenyl)-N,3-diphenylaniline
CID 170126534
N-(3-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 156577441
N-phenanthren-9-yl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-2-amine
CID 89295821
3-N-dibenzofuran-2-yl-5-phenanthren-9-yl-1-N,1-N,3-N-triphenylbenzene-1,3-diamine
CID 162770448
N-(4-phenanthren-9-ylphenyl)-N-phenyltriphenylen-2-amine
CID 155304063

Frequently Asked Questions

What is the IUPAC name of N-(4-phenanthren-9-ylphenyl)-5-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine?
The IUPAC name of N-(4-phenanthren-9-ylphenyl)-5-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine (CID 170301497) is N-(4-phenanthren-9-ylphenyl)-5-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine.
What is the SMILES notation for N-(4-phenanthren-9-ylphenyl)-5-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine?
The canonical SMILES for N-(4-phenanthren-9-ylphenyl)-5-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine is c1ccc(-c2ccc(N(c3ccc(-c4cc5ccccc5c5ccccc45)cc3)c3ccc4oc5cc(-c6ccccc6)c6ccccc6c5c4c3)cc2)cc1.
What is the InChIKey of N-(4-phenanthren-9-ylphenyl)-5-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine?
The InChIKey is ZAXQVWYYIBATDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35NO/c1-3-13-36(14-4-1)37-23-27-41(28-24-37)55(42-29-25-39(26-30-42)49-33-40-17-7-8-18-44(40)45-19-9-10-20-46(45)49)43-31-32-52-51(34-43)54-48-22-12-11-21-47(48)50(35-53(54)56-52)38-15-5-2-6-16-38/h1-35H.
What are the key properties of N-(4-phenanthren-9-ylphenyl)-5-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine?
N-(4-phenanthren-9-ylphenyl)-5-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine has a molecular weight of 713.88 g/mol, XLogP of 15.52, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenanthren-9-ylphenyl)-5-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine is sourced from PubChem (CID 170301497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).