N-(9,10-diphenylphenanthren-2-yl)-N-(3-phenylphenyl)dibenzothiophen-4-amine

C50H33NS — CID 169062004

IUPACN-(9,10-diphenylphenanthren-2-yl)-N-(3-phenylphenyl)dibenzothiophen-4-amine
SMILESc1ccc(-c2cccc(N(c3ccc4c(c3)c(-c3ccccc3)c(-c3ccccc3)c3ccccc34)c3cccc4c3sc3ccccc34)c2)cc1
InChIInChI=1S/C50H33NS/c1-4-16-34(17-5-1)37-22-14-23-38(32-37)51(46-28-15-27-44-42-25-12-13-29-47(42)52-50(44)46)39-30-31-41-40-24-10-11-26-43(40)48(35-18-6-2-7-19-35)49(45(41)33-39)36-20-8-3-9-21-36/h1-33H
InChIKeyFOGQVJDIAJYAMY-UHFFFAOYSA-N
MW679.89 g/mol
LogP14.83
Rot. Bonds6

About N-(9,10-diphenylphenanthren-2-yl)-N-(3-phenylphenyl)dibenzothiophen-4-amine

N-(9,10-diphenylphenanthren-2-yl)-N-(3-phenylphenyl)dibenzothiophen-4-amine (PubChem CID 169062004) has the molecular formula C50H33NS and a molecular weight of 679.89 g/mol. Its IUPAC name is N-(9,10-diphenylphenanthren-2-yl)-N-(3-phenylphenyl)dibenzothiophen-4-amine.

Molecular Properties

Compound NameN-(9,10-diphenylphenanthren-2-yl)-N-(3-phenylphenyl)dibenzothiophen-4-amine
PubChem CID169062004
Molecular FormulaC50H33NS
Molecular Weight679.89 g/mol
Exact Mass679.23
IUPAC NameN-(9,10-diphenylphenanthren-2-yl)-N-(3-phenylphenyl)dibenzothiophen-4-amine
SMILESc1ccc(-c2cccc(N(c3ccc4c(c3)c(-c3ccccc3)c(-c3ccccc3)c3ccccc34)c3cccc4c3sc3ccccc34)c2)cc1
InChIInChI=1S/C50H33NS/c1-4-16-34(17-5-1)37-22-14-23-38(32-37)51(46-28-15-27-44-42-25-12-13-29-47(42)52-50(44)46)39-30-31-41-40-24-10-11-26-43(40)48(35-18-6-2-7-19-35)49(45(41)33-39)36-20-8-3-9-21-36/h1-33H
InChIKeyFOGQVJDIAJYAMY-UHFFFAOYSA-N
XLogP14.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.89
LogP ≤ 514.83
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-(3-dibenzothiophen-4-ylphenyl)-9,10-diphenyl-N-(3-phenylphenyl)phenanthren-2-amine
CID 169064800
N-(3-dibenzothiophen-4-ylphenyl)-3-(9,10-diphenylphenanthren-2-yl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 169064842
N-(4-dibenzothiophen-4-ylphenyl)-3-(9,10-diphenylphenanthren-2-yl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 169064173
N-(3-dibenzothiophen-2-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)dibenzothiophen-4-amine
CID 164962758
N-(4-dibenzothiophen-4-ylphenyl)-3-(9,10-diphenylphenanthren-2-yl)-N-phenylaniline
CID 169065539
3-N-[4-(N-[8-[3-(N-[3-(N-[4-(N-dibenzothiophen-4-ylanilino)phenyl]anilino)phenyl]anilino)phenyl]dibenzothiophen-2-yl]anilino)phenyl]-1-N,1-N,3-N-triphenylbenzene-1,3-diamine
CID 163460336
N-[3-[3-[dibenzofuran-3-yl(dibenzothiophen-4-yl)amino]phenyl]phenyl]-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 167086280
6-N-dibenzothiophen-3-yl-4-N,4-N-diphenyl-6-N-(4-phenylphenyl)dibenzothiophene-4,6-diamine
CID 146576004
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3,5-diphenylphenyl)dibenzothiophen-2-amine
CID 169062180
N-(4-dibenzothiophen-4-ylphenyl)-N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-2,6-diphenylaniline
CID 169065383
N-[3-[2-(N-dibenzothiophen-4-yl-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 167086291
N-[4-[4-(N-[4-[4-(N-dibenzothiophen-4-ylanilino)phenyl]phenyl]anilino)phenyl]phenyl]-N-phenyldibenzothiophen-4-amine
CID 147452405

Frequently Asked Questions

What is the IUPAC name of N-(9,10-diphenylphenanthren-2-yl)-N-(3-phenylphenyl)dibenzothiophen-4-amine?
The IUPAC name of N-(9,10-diphenylphenanthren-2-yl)-N-(3-phenylphenyl)dibenzothiophen-4-amine (CID 169062004) is N-(9,10-diphenylphenanthren-2-yl)-N-(3-phenylphenyl)dibenzothiophen-4-amine.
What is the SMILES notation for N-(9,10-diphenylphenanthren-2-yl)-N-(3-phenylphenyl)dibenzothiophen-4-amine?
The canonical SMILES for N-(9,10-diphenylphenanthren-2-yl)-N-(3-phenylphenyl)dibenzothiophen-4-amine is c1ccc(-c2cccc(N(c3ccc4c(c3)c(-c3ccccc3)c(-c3ccccc3)c3ccccc34)c3cccc4c3sc3ccccc34)c2)cc1.
What is the InChIKey of N-(9,10-diphenylphenanthren-2-yl)-N-(3-phenylphenyl)dibenzothiophen-4-amine?
The InChIKey is FOGQVJDIAJYAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33NS/c1-4-16-34(17-5-1)37-22-14-23-38(32-37)51(46-28-15-27-44-42-25-12-13-29-47(42)52-50(44)46)39-30-31-41-40-24-10-11-26-43(40)48(35-18-6-2-7-19-35)49(45(41)33-39)36-20-8-3-9-21-36/h1-33H.
What are the key properties of N-(9,10-diphenylphenanthren-2-yl)-N-(3-phenylphenyl)dibenzothiophen-4-amine?
N-(9,10-diphenylphenanthren-2-yl)-N-(3-phenylphenyl)dibenzothiophen-4-amine has a molecular weight of 679.89 g/mol, XLogP of 14.83, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,10-diphenylphenanthren-2-yl)-N-(3-phenylphenyl)dibenzothiophen-4-amine is sourced from PubChem (CID 169062004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).