N-[4-(2,3-diphenylphenanthro[9,10-b]furan-5-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine

C58H37NO2 — CID 155105495

IUPACN-[4-(2,3-diphenylphenanthro[9,10-b]furan-5-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5c6ccccc6c6oc(-c7ccccc7)c(-c7ccccc7)c6c5c4)cc3)c3cccc4c3oc3ccccc34)cc2)cc1
InChIInChI=1S/C58H37NO2/c1-4-15-38(16-5-1)39-27-32-44(33-28-39)59(52-25-14-24-50-48-22-12-13-26-53(48)60-57(50)52)45-34-29-40(30-35-45)43-31-36-47-46-21-10-11-23-49(46)58-55(51(47)37-43)54(41-17-6-2-7-18-41)56(61-58)42-19-8-3-9-20-42/h1-37H
InChIKeyICGQFABRIHWFNU-UHFFFAOYSA-N
MW779.94 g/mol
LogP16.78
Rot. Bonds7

About N-[4-(2,3-diphenylphenanthro[9,10-b]furan-5-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine

N-[4-(2,3-diphenylphenanthro[9,10-b]furan-5-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine (PubChem CID 155105495) has the molecular formula C58H37NO2 and a molecular weight of 779.94 g/mol. Its IUPAC name is N-[4-(2,3-diphenylphenanthro[9,10-b]furan-5-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine.

Molecular Properties

Compound NameN-[4-(2,3-diphenylphenanthro[9,10-b]furan-5-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
PubChem CID155105495
Molecular FormulaC58H37NO2
Molecular Weight779.94 g/mol
Exact Mass779.28
IUPAC NameN-[4-(2,3-diphenylphenanthro[9,10-b]furan-5-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5c6ccccc6c6oc(-c7ccccc7)c(-c7ccccc7)c6c5c4)cc3)c3cccc4c3oc3ccccc34)cc2)cc1
InChIInChI=1S/C58H37NO2/c1-4-15-38(16-5-1)39-27-32-44(33-28-39)59(52-25-14-24-50-48-22-12-13-26-53(48)60-57(50)52)45-34-29-40(30-35-45)43-31-36-47-46-21-10-11-23-49(46)58-55(51(47)37-43)54(41-17-6-2-7-18-41)56(61-58)42-19-8-3-9-20-42/h1-37H
InChIKeyICGQFABRIHWFNU-UHFFFAOYSA-N
XLogP16.78
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500779.94
LogP ≤ 516.78
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-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 169064652
4-phenyl-N-(4-phenylphenyl)-N-[4-(2,3,5-triphenylphenanthro[10,9-b]furan-10-yl)phenyl]aniline
CID 155105429
7-(7-dibenzofuran-3-yldibenzofuran-3-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 174244796
N-[3-[3-(10-phenylphenanthren-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 134453745
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-4-amine
CID 169064628
9-N,10-N-di(dibenzofuran-4-yl)-2,6-diphenyl-9-N,10-N-bis(4-phenylphenyl)anthracene-9,10-diamine
CID 89254658
N-dibenzofuran-3-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 121241788
N-phenyl-N-[4-(3-phenylphenanthro[9,10-b]furan-2-yl)phenyl]-4-(3-phenylphenyl)aniline
CID 155105491
N-[3-[4-[3-(N-dibenzofuran-4-ylanilino)phenyl]phenyl]phenyl]-N-phenyldibenzofuran-4-amine
CID 71126918
4-(2,3-diphenylphenanthro[9,10-b]furan-6-yl)-N-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline
CID 155105536
N,2,4-triphenyl-N-[4-(3-phenylphenanthro[9,10-b]furan-2-yl)phenyl]aniline
CID 155105489
N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-4-amine
CID 71126595

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3-diphenylphenanthro[9,10-b]furan-5-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine?
The IUPAC name of N-[4-(2,3-diphenylphenanthro[9,10-b]furan-5-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine (CID 155105495) is N-[4-(2,3-diphenylphenanthro[9,10-b]furan-5-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine.
What is the SMILES notation for N-[4-(2,3-diphenylphenanthro[9,10-b]furan-5-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine?
The canonical SMILES for N-[4-(2,3-diphenylphenanthro[9,10-b]furan-5-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccc5c6ccccc6c6oc(-c7ccccc7)c(-c7ccccc7)c6c5c4)cc3)c3cccc4c3oc3ccccc34)cc2)cc1.
What is the InChIKey of N-[4-(2,3-diphenylphenanthro[9,10-b]furan-5-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine?
The InChIKey is ICGQFABRIHWFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37NO2/c1-4-15-38(16-5-1)39-27-32-44(33-28-39)59(52-25-14-24-50-48-22-12-13-26-53(48)60-57(50)52)45-34-29-40(30-35-45)43-31-36-47-46-21-10-11-23-49(46)58-55(51(47)37-43)54(41-17-6-2-7-18-41)56(61-58)42-19-8-3-9-20-42/h1-37H.
What are the key properties of N-[4-(2,3-diphenylphenanthro[9,10-b]furan-5-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine?
N-[4-(2,3-diphenylphenanthro[9,10-b]furan-5-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine has a molecular weight of 779.94 g/mol, XLogP of 16.78, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,3-diphenylphenanthro[9,10-b]furan-5-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine is sourced from PubChem (CID 155105495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).