N-(3,4-diphenylphenyl)-N-[4-(4-phenyldibenzofuran-1-yl)phenyl]phenanthren-3-amine

C56H37NO — CID 176821326

IUPACN-(3,4-diphenylphenyl)-N-[4-(4-phenyldibenzofuran-1-yl)phenyl]phenanthren-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5ccccc5)c5oc6ccccc6c45)cc3)c3ccc4ccc5ccccc5c4c3)cc2-c2ccccc2)cc1
InChIInChI=1S/C56H37NO/c1-4-14-38(15-5-1)48-33-32-46(37-52(48)40-18-8-3-9-19-40)57(45-31-28-43-25-24-41-20-10-11-21-47(41)53(43)36-45)44-29-26-42(27-30-44)49-34-35-50(39-16-6-2-7-17-39)56-55(49)51-22-12-13-23-54(51)58-56/h1-37H
InChIKeyAIAXVLRLYAOOCL-UHFFFAOYSA-N
MW739.92 g/mol
LogP16.03
Rot. Bonds7

About N-(3,4-diphenylphenyl)-N-[4-(4-phenyldibenzofuran-1-yl)phenyl]phenanthren-3-amine

N-(3,4-diphenylphenyl)-N-[4-(4-phenyldibenzofuran-1-yl)phenyl]phenanthren-3-amine (PubChem CID 176821326) has the molecular formula C56H37NO and a molecular weight of 739.92 g/mol. Its IUPAC name is N-(3,4-diphenylphenyl)-N-[4-(4-phenyldibenzofuran-1-yl)phenyl]phenanthren-3-amine.

Molecular Properties

Compound NameN-(3,4-diphenylphenyl)-N-[4-(4-phenyldibenzofuran-1-yl)phenyl]phenanthren-3-amine
PubChem CID176821326
Molecular FormulaC56H37NO
Molecular Weight739.92 g/mol
Exact Mass739.29
IUPAC NameN-(3,4-diphenylphenyl)-N-[4-(4-phenyldibenzofuran-1-yl)phenyl]phenanthren-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5ccccc5)c5oc6ccccc6c45)cc3)c3ccc4ccc5ccccc5c4c3)cc2-c2ccccc2)cc1
InChIInChI=1S/C56H37NO/c1-4-14-38(15-5-1)48-33-32-46(37-52(48)40-18-8-3-9-19-40)57(45-31-28-43-25-24-41-20-10-11-21-47(41)53(43)36-45)44-29-26-42(27-30-44)49-34-35-50(39-16-6-2-7-17-39)56-55(49)51-22-12-13-23-54(51)58-56/h1-37H
InChIKeyAIAXVLRLYAOOCL-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-[4-(4-phenyldibenzofuran-1-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine
CID 176821352
N-phenyl-N-[4-(4-phenyldibenzofuran-1-yl)phenyl]phenanthren-2-amine
CID 176820436
N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenyldibenzofuran-1-yl)phenyl]phenanthren-2-amine
CID 176820582
N-phenanthren-3-yl-1-(4-phenyldibenzofuran-1-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 176820600
N-phenanthren-3-yl-N,4-bis(4-phenylphenyl)dibenzofuran-1-amine
CID 176820694
N-(3,4-diphenylphenyl)-N-phenanthren-3-yldibenzofuran-2-amine
CID 177081030
N-(4-naphthalen-2-ylphenyl)-N-[4-(4-phenyldibenzofuran-1-yl)phenyl]phenanthren-2-amine
CID 176820471
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]chrysen-3-amine
CID 171399261
N-(3,4-diphenylphenyl)-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenanthren-3-amine
CID 177080967
N-(3,4-diphenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-3-amine
CID 177081043
N-phenanthren-3-yl-N-(4-phenanthren-1-ylphenyl)-1-phenyldibenzofuran-4-amine
CID 168809808
N-phenanthren-2-yl-N-[4-(4-phenyldibenzofuran-1-yl)phenyl]phenanthren-1-amine
CID 176820936

Frequently Asked Questions

What is the IUPAC name of N-(3,4-diphenylphenyl)-N-[4-(4-phenyldibenzofuran-1-yl)phenyl]phenanthren-3-amine?
The IUPAC name of N-(3,4-diphenylphenyl)-N-[4-(4-phenyldibenzofuran-1-yl)phenyl]phenanthren-3-amine (CID 176821326) is N-(3,4-diphenylphenyl)-N-[4-(4-phenyldibenzofuran-1-yl)phenyl]phenanthren-3-amine.
What is the SMILES notation for N-(3,4-diphenylphenyl)-N-[4-(4-phenyldibenzofuran-1-yl)phenyl]phenanthren-3-amine?
The canonical SMILES for N-(3,4-diphenylphenyl)-N-[4-(4-phenyldibenzofuran-1-yl)phenyl]phenanthren-3-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5ccccc5)c5oc6ccccc6c45)cc3)c3ccc4ccc5ccccc5c4c3)cc2-c2ccccc2)cc1.
What is the InChIKey of N-(3,4-diphenylphenyl)-N-[4-(4-phenyldibenzofuran-1-yl)phenyl]phenanthren-3-amine?
The InChIKey is AIAXVLRLYAOOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H37NO/c1-4-14-38(15-5-1)48-33-32-46(37-52(48)40-18-8-3-9-19-40)57(45-31-28-43-25-24-41-20-10-11-21-47(41)53(43)36-45)44-29-26-42(27-30-44)49-34-35-50(39-16-6-2-7-17-39)56-55(49)51-22-12-13-23-54(51)58-56/h1-37H.
What are the key properties of N-(3,4-diphenylphenyl)-N-[4-(4-phenyldibenzofuran-1-yl)phenyl]phenanthren-3-amine?
N-(3,4-diphenylphenyl)-N-[4-(4-phenyldibenzofuran-1-yl)phenyl]phenanthren-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-(3,4-diphenylphenyl)-N-[4-(4-phenyldibenzofuran-1-yl)phenyl]phenanthren-3-amine is sourced from PubChem (CID 176821326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).