N-(3-phenylphenyl)-N-triphenylen-2-yldibenzothiophen-2-amine

C42H27NS — CID 118214718

IUPACN-(3-phenylphenyl)-N-triphenylen-2-yldibenzothiophen-2-amine
SMILESc1ccc(-c2cccc(N(c3ccc4sc5ccccc5c4c3)c3ccc4c5ccccc5c5ccccc5c4c3)c2)cc1
InChIInChI=1S/C42H27NS/c1-2-11-28(12-3-1)29-13-10-14-30(25-29)43(32-22-24-42-40(27-32)38-19-8-9-20-41(38)44-42)31-21-23-37-35-17-5-4-15-33(35)34-16-6-7-18-36(34)39(37)26-31/h1-27H
InChIKeyWNEKRTAAHJGOCJ-UHFFFAOYSA-N
MW577.75 g/mol
LogP12.65
Rot. Bonds4

About N-(3-phenylphenyl)-N-triphenylen-2-yldibenzothiophen-2-amine

N-(3-phenylphenyl)-N-triphenylen-2-yldibenzothiophen-2-amine (PubChem CID 118214718) has the molecular formula C42H27NS and a molecular weight of 577.75 g/mol. Its IUPAC name is N-(3-phenylphenyl)-N-triphenylen-2-yldibenzothiophen-2-amine.

Molecular Properties

Compound NameN-(3-phenylphenyl)-N-triphenylen-2-yldibenzothiophen-2-amine
PubChem CID118214718
Molecular FormulaC42H27NS
Molecular Weight577.75 g/mol
Exact Mass577.19
IUPAC NameN-(3-phenylphenyl)-N-triphenylen-2-yldibenzothiophen-2-amine
SMILESc1ccc(-c2cccc(N(c3ccc4sc5ccccc5c4c3)c3ccc4c5ccccc5c5ccccc5c4c3)c2)cc1
InChIInChI=1S/C42H27NS/c1-2-11-28(12-3-1)29-13-10-14-30(25-29)43(32-22-24-42-40(27-32)38-19-8-9-20-41(38)44-42)31-21-23-37-35-17-5-4-15-33(35)34-16-6-7-18-36(34)39(37)26-31/h1-27H
InChIKeyWNEKRTAAHJGOCJ-UHFFFAOYSA-N
XLogP12.65
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.75
LogP ≤ 512.65
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-(8-phenyldibenzothiophen-2-yl)phenyl]-N-(4-phenylphenyl)triphenylen-2-amine
CID 121296596
7-N-dibenzothiophen-3-yl-2-N,2-N-diphenyl-7-N-[4-[3-(N-phenylanilino)phenyl]phenyl]dibenzothiophene-2,7-diamine
CID 131979873
N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline
CID 121261333
2-N,2-N-diphenyl-7-N-[4-[3-(N-phenylanilino)phenyl]phenyl]-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine
CID 131979910
N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine;4-phenyl-N,N-bis[4-(3-phenylphenyl)phenyl]aniline
CID 157402984
N-phenyl-N-[4-(4-phenylphenyl)phenyl]-35-thiaoctacyclo[24.11.0.02,7.08,13.014,19.020,25.028,36.029,34]heptatriaconta-1(37),2(7),3,5,8,10,12,14,16,18,20,22,24,26,28(36),29,31,33-octadecaen-5-amine
CID 130465151
8-dibenzothiophen-3-yl-N-phenyl-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 90076252
N,8-di(dibenzothiophen-2-yl)-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 139552059
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3,5-diphenylphenyl)dibenzothiophen-2-amine
CID 169062180
N-dibenzothiophen-2-yl-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 90350979
3-(8-dibenzothiophen-3-yldibenzothiophen-2-yl)-N,N-diphenylaniline
CID 90076169
[4-(N-dibenzothiophen-2-yl-3-phenylanilino)phenyl]boronic acid
CID 170776675

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylphenyl)-N-triphenylen-2-yldibenzothiophen-2-amine?
The IUPAC name of N-(3-phenylphenyl)-N-triphenylen-2-yldibenzothiophen-2-amine (CID 118214718) is N-(3-phenylphenyl)-N-triphenylen-2-yldibenzothiophen-2-amine.
What is the SMILES notation for N-(3-phenylphenyl)-N-triphenylen-2-yldibenzothiophen-2-amine?
The canonical SMILES for N-(3-phenylphenyl)-N-triphenylen-2-yldibenzothiophen-2-amine is c1ccc(-c2cccc(N(c3ccc4sc5ccccc5c4c3)c3ccc4c5ccccc5c5ccccc5c4c3)c2)cc1.
What is the InChIKey of N-(3-phenylphenyl)-N-triphenylen-2-yldibenzothiophen-2-amine?
The InChIKey is WNEKRTAAHJGOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27NS/c1-2-11-28(12-3-1)29-13-10-14-30(25-29)43(32-22-24-42-40(27-32)38-19-8-9-20-41(38)44-42)31-21-23-37-35-17-5-4-15-33(35)34-16-6-7-18-36(34)39(37)26-31/h1-27H.
What are the key properties of N-(3-phenylphenyl)-N-triphenylen-2-yldibenzothiophen-2-amine?
N-(3-phenylphenyl)-N-triphenylen-2-yldibenzothiophen-2-amine has a molecular weight of 577.75 g/mol, XLogP of 12.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylphenyl)-N-triphenylen-2-yldibenzothiophen-2-amine is sourced from PubChem (CID 118214718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).