N-(4-phenanthren-1-yl-3,5-diphenylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine

C56H37NO — CID 170066113

IUPACN-(4-phenanthren-1-yl-3,5-diphenylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
SMILESc1ccc(-c2ccc(N(c3cc(-c4ccccc4)c(-c4cccc5c4ccc4ccccc45)c(-c4ccccc4)c3)c3ccc4c(c3)oc3ccccc34)cc2)cc1
InChIInChI=1S/C56H37NO/c1-4-15-38(16-5-1)39-27-30-43(31-28-39)57(44-32-34-50-49-23-12-13-26-54(49)58-55(50)37-44)45-35-52(40-17-6-2-7-18-40)56(53(36-45)41-19-8-3-9-20-41)51-25-14-24-47-46-22-11-10-21-42(46)29-33-48(47)51/h1-37H
InChIKeyFCDAKCGMDHYVCE-UHFFFAOYSA-N
MW739.92 g/mol
LogP16.03
Rot. Bonds7

About N-(4-phenanthren-1-yl-3,5-diphenylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine

N-(4-phenanthren-1-yl-3,5-diphenylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine (PubChem CID 170066113) has the molecular formula C56H37NO and a molecular weight of 739.92 g/mol. Its IUPAC name is N-(4-phenanthren-1-yl-3,5-diphenylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine.

Molecular Properties

Compound NameN-(4-phenanthren-1-yl-3,5-diphenylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
PubChem CID170066113
Molecular FormulaC56H37NO
Molecular Weight739.92 g/mol
Exact Mass739.29
IUPAC NameN-(4-phenanthren-1-yl-3,5-diphenylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
SMILESc1ccc(-c2ccc(N(c3cc(-c4ccccc4)c(-c4cccc5c4ccc4ccccc45)c(-c4ccccc4)c3)c3ccc4c(c3)oc3ccccc34)cc2)cc1
InChIInChI=1S/C56H37NO/c1-4-15-38(16-5-1)39-27-30-43(31-28-39)57(44-32-34-50-49-23-12-13-26-54(49)58-55(50)37-44)45-35-52(40-17-6-2-7-18-40)56(53(36-45)41-19-8-3-9-20-41)51-25-14-24-47-46-22-11-10-21-42(46)29-33-48(47)51/h1-37H
InChIKeyFCDAKCGMDHYVCE-UHFFFAOYSA-N
XLogP16.03
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500739.92
LogP ≤ 516.03
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-chrysen-3-yl-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 170137454
N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine
CID 139363157
N-(4-naphthalen-1-ylphenyl)-N-[3-(7-phenylphenanthren-2-yl)phenyl]dibenzofuran-3-amine
CID 138743305
N-(3,4-dinaphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 177097176
N-(4-naphthalen-1-ylphenyl)-N-phenanthren-3-yldibenzofuran-3-amine
CID 168809644
N-(4-naphthalen-1-ylphenyl)-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-3-amine
CID 172501087
N-(4-naphthalen-1-ylphenyl)-N-[4-(1-phenylnaphthalen-2-yl)phenyl]dibenzofuran-3-amine
CID 139352524
N-[4-(5-phenylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 139352842
N-(4-chrysen-2-ylphenyl)-N-dibenzofuran-3-yldibenzofuran-3-amine
CID 170137651
N-(4-phenylphenyl)-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-3-amine
CID 172501001
N-chrysen-6-yl-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 170137080
9-phenanthren-2-yl-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 171417635

Frequently Asked Questions

What is the IUPAC name of N-(4-phenanthren-1-yl-3,5-diphenylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine?
The IUPAC name of N-(4-phenanthren-1-yl-3,5-diphenylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine (CID 170066113) is N-(4-phenanthren-1-yl-3,5-diphenylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine.
What is the SMILES notation for N-(4-phenanthren-1-yl-3,5-diphenylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine?
The canonical SMILES for N-(4-phenanthren-1-yl-3,5-diphenylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine is c1ccc(-c2ccc(N(c3cc(-c4ccccc4)c(-c4cccc5c4ccc4ccccc45)c(-c4ccccc4)c3)c3ccc4c(c3)oc3ccccc34)cc2)cc1.
What is the InChIKey of N-(4-phenanthren-1-yl-3,5-diphenylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine?
The InChIKey is FCDAKCGMDHYVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H37NO/c1-4-15-38(16-5-1)39-27-30-43(31-28-39)57(44-32-34-50-49-23-12-13-26-54(49)58-55(50)37-44)45-35-52(40-17-6-2-7-18-40)56(53(36-45)41-19-8-3-9-20-41)51-25-14-24-47-46-22-11-10-21-42(46)29-33-48(47)51/h1-37H.
What are the key properties of N-(4-phenanthren-1-yl-3,5-diphenylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine?
N-(4-phenanthren-1-yl-3,5-diphenylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine has a molecular weight of 739.92 g/mol, XLogP of 16.03, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenanthren-1-yl-3,5-diphenylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine is sourced from PubChem (CID 170066113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).