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

C58H35NO2S — CID 155105718

IUPACN-dibenzofuran-3-yl-N-[4-(2,3-diphenylphenanthro[9,10-b]thiophen-5-yl)phenyl]dibenzofuran-3-amine
SMILESc1ccc(-c2sc3c4ccccc4c4ccc(-c5ccc(N(c6ccc7c(c6)oc6ccccc67)c6ccc7c(c6)oc6ccccc67)cc5)cc4c3c2-c2ccccc2)cc1
InChIInChI=1S/C58H35NO2S/c1-3-13-37(14-4-1)55-56-50-33-39(25-30-44(50)43-17-7-8-20-49(43)58(56)62-57(55)38-15-5-2-6-16-38)36-23-26-40(27-24-36)59(41-28-31-47-45-18-9-11-21-51(45)60-53(47)34-41)42-29-32-48-46-19-10-12-22-52(46)61-54(48)35-42/h1-35H
InChIKeyIUUYWUZSHZCGMJ-UHFFFAOYSA-N
MW809.99 g/mol
LogP17.48
Rot. Bonds6

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

N-dibenzofuran-3-yl-N-[4-(2,3-diphenylphenanthro[9,10-b]thiophen-5-yl)phenyl]dibenzofuran-3-amine (PubChem CID 155105718) has the molecular formula C58H35NO2S and a molecular weight of 809.99 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-N-[4-(2,3-diphenylphenanthro[9,10-b]thiophen-5-yl)phenyl]dibenzofuran-3-amine.

Molecular Properties

Compound NameN-dibenzofuran-3-yl-N-[4-(2,3-diphenylphenanthro[9,10-b]thiophen-5-yl)phenyl]dibenzofuran-3-amine
PubChem CID155105718
Molecular FormulaC58H35NO2S
Molecular Weight809.99 g/mol
Exact Mass809.24
IUPAC NameN-dibenzofuran-3-yl-N-[4-(2,3-diphenylphenanthro[9,10-b]thiophen-5-yl)phenyl]dibenzofuran-3-amine
SMILESc1ccc(-c2sc3c4ccccc4c4ccc(-c5ccc(N(c6ccc7c(c6)oc6ccccc67)c6ccc7c(c6)oc6ccccc67)cc5)cc4c3c2-c2ccccc2)cc1
InChIInChI=1S/C58H35NO2S/c1-3-13-37(14-4-1)55-56-50-33-39(25-30-44(50)43-17-7-8-20-49(43)58(56)62-57(55)38-15-5-2-6-16-38)36-23-26-40(27-24-36)59(41-28-31-47-45-18-9-11-21-51(45)60-53(47)34-41)42-29-32-48-46-19-10-12-22-52(46)61-54(48)35-42/h1-35H
InChIKeyIUUYWUZSHZCGMJ-UHFFFAOYSA-N
XLogP17.48
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500809.99
LogP ≤ 517.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-dibenzofuran-3-yl-N-[4-(2,3-diphenylphenanthro[10,9-b]thiophen-9-yl)phenyl]dibenzofuran-3-amine
CID 155105669
N-(4-phenylphenyl)-N-[3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-3-amine
CID 118924585
N-[3-(4-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 121311330
N,N-bis(4-phenylphenyl)dibenzofuran-3-amine
CID 121311287
7-dibenzofuran-3-yl-N,N-bis[4-(4-phenylphenyl)phenyl]triphenylen-2-amine
CID 88567948
N-(4-phenylphenyl)-N-[4-[3-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine;N-(4-phenylphenyl)-N-[4-[3-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-3-amine
CID 160832647
N-[4-[3-(4-phenylphenyl)phenyl]phenyl]-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 121311288
N-[4-[4-(3-phenylphenyl)phenyl]phenyl]-N-[4-[4-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-3-amine
CID 121311323
3-[3-(N-(4-dibenzofuran-3-ylphenyl)-4-phenylanilino)phenyl]-N,N-diphenylaniline
CID 167086965
3-[3-(N-(4-dibenzofuran-3-ylphenyl)-4-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)aniline
CID 167086964
N-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 129085217
N-dibenzofuran-3-yl-N-[4-(3,5-diphenylphenyl)phenyl]dibenzofuran-3-amine
CID 70808582

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-3-yl-N-[4-(2,3-diphenylphenanthro[9,10-b]thiophen-5-yl)phenyl]dibenzofuran-3-amine?
The IUPAC name of N-dibenzofuran-3-yl-N-[4-(2,3-diphenylphenanthro[9,10-b]thiophen-5-yl)phenyl]dibenzofuran-3-amine (CID 155105718) is N-dibenzofuran-3-yl-N-[4-(2,3-diphenylphenanthro[9,10-b]thiophen-5-yl)phenyl]dibenzofuran-3-amine.
What is the SMILES notation for N-dibenzofuran-3-yl-N-[4-(2,3-diphenylphenanthro[9,10-b]thiophen-5-yl)phenyl]dibenzofuran-3-amine?
The canonical SMILES for N-dibenzofuran-3-yl-N-[4-(2,3-diphenylphenanthro[9,10-b]thiophen-5-yl)phenyl]dibenzofuran-3-amine is c1ccc(-c2sc3c4ccccc4c4ccc(-c5ccc(N(c6ccc7c(c6)oc6ccccc67)c6ccc7c(c6)oc6ccccc67)cc5)cc4c3c2-c2ccccc2)cc1.
What is the InChIKey of N-dibenzofuran-3-yl-N-[4-(2,3-diphenylphenanthro[9,10-b]thiophen-5-yl)phenyl]dibenzofuran-3-amine?
The InChIKey is IUUYWUZSHZCGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H35NO2S/c1-3-13-37(14-4-1)55-56-50-33-39(25-30-44(50)43-17-7-8-20-49(43)58(56)62-57(55)38-15-5-2-6-16-38)36-23-26-40(27-24-36)59(41-28-31-47-45-18-9-11-21-51(45)60-53(47)34-41)42-29-32-48-46-19-10-12-22-52(46)61-54(48)35-42/h1-35H.
What are the key properties of N-dibenzofuran-3-yl-N-[4-(2,3-diphenylphenanthro[9,10-b]thiophen-5-yl)phenyl]dibenzofuran-3-amine?
N-dibenzofuran-3-yl-N-[4-(2,3-diphenylphenanthro[9,10-b]thiophen-5-yl)phenyl]dibenzofuran-3-amine has a molecular weight of 809.99 g/mol, XLogP of 17.48, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-3-yl-N-[4-(2,3-diphenylphenanthro[9,10-b]thiophen-5-yl)phenyl]dibenzofuran-3-amine is sourced from PubChem (CID 155105718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).