N,N-diphenyl-8-(2-triphenylsilylethenyl)dibenzothiophen-2-amine

C44H33NSSi — CID 123348498

IUPACN,N-diphenyl-8-(2-triphenylsilylethenyl)dibenzothiophen-2-amine
SMILESC(=C[Si](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc2sc3ccc(N(c4ccccc4)c4ccccc4)cc3c2c1
InChIInChI=1S/C44H33NSSi/c1-6-16-35(17-7-1)45(36-18-8-2-9-19-36)37-27-29-44-42(33-37)41-32-34(26-28-43(41)46-44)30-31-47(38-20-10-3-11-21-38,39-22-12-4-13-23-39)40-24-14-5-15-25-40/h1-33H
InChIKeyFCTUCGXPSKYNSE-UHFFFAOYSA-N
MW635.91 g/mol
LogP10.25
Rot. Bonds8

About N,N-diphenyl-8-(2-triphenylsilylethenyl)dibenzothiophen-2-amine

N,N-diphenyl-8-(2-triphenylsilylethenyl)dibenzothiophen-2-amine (PubChem CID 123348498) has the molecular formula C44H33NSSi and a molecular weight of 635.91 g/mol. Its IUPAC name is N,N-diphenyl-8-(2-triphenylsilylethenyl)dibenzothiophen-2-amine.

Molecular Properties

Compound NameN,N-diphenyl-8-(2-triphenylsilylethenyl)dibenzothiophen-2-amine
PubChem CID123348498
Molecular FormulaC44H33NSSi
Molecular Weight635.91 g/mol
Exact Mass635.21
IUPAC NameN,N-diphenyl-8-(2-triphenylsilylethenyl)dibenzothiophen-2-amine
SMILESC(=C[Si](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc2sc3ccc(N(c4ccccc4)c4ccccc4)cc3c2c1
InChIInChI=1S/C44H33NSSi/c1-6-16-35(17-7-1)45(36-18-8-2-9-19-36)37-27-29-44-42(33-37)41-32-34(26-28-43(41)46-44)30-31-47(38-20-10-3-11-21-38,39-22-12-4-13-23-39)40-24-14-5-15-25-40/h1-33H
InChIKeyFCTUCGXPSKYNSE-UHFFFAOYSA-N
XLogP10.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.91
LogP ≤ 510.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

2-N,7-N-di(dibenzothiophen-2-yl)-7-N-dibenzothiophen-3-yl-2-N-phenyldibenzothiophene-2,7-diamine
CID 130327123
3-N,3-N,8-N,8-N-tetraphenyl-[1]benzothiolo[3,2-b][1]benzothiole-3,8-diamine
CID 130303970
2-N,2-N,7-N-triphenyl-7-N-triphenylen-2-yldibenzothiophene-2,7-diamine
CID 146576040
N-dibenzothiophen-2-yl-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 90350979
7-N-dibenzothiophen-2-yl-2-N,2-N,7-N-triphenylthianthrene-2,7-diamine
CID 161333669
7-N-(7-methyldibenzothiophen-2-yl)-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine
CID 139422457
2,6-bis(N-phenylanilino)thioxanthen-9-one
CID 135226634
N,8-di(dibenzothiophen-2-yl)-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 139552059
2-N,2-N-diphenyl-7-N-[4-[3-(N-phenylanilino)phenyl]phenyl]-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine
CID 131979910
N-phenyl-N-[4-[4-(2-triphenylsilylethenyl)phenyl]phenyl]pyridin-2-amine
CID 123423561
N,4-diphenyl-N-[4-[3-(8-phenyldibenzothiophen-2-yl)phenyl]phenyl]aniline
CID 121296540
N-dibenzothiophen-2-yl-N-[7-[(E)-2-[7-[(E)-2-[7-[di(dibenzothiophen-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]dibenzothiophen-2-amine
CID 59246194

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-8-(2-triphenylsilylethenyl)dibenzothiophen-2-amine?
The IUPAC name of N,N-diphenyl-8-(2-triphenylsilylethenyl)dibenzothiophen-2-amine (CID 123348498) is N,N-diphenyl-8-(2-triphenylsilylethenyl)dibenzothiophen-2-amine.
What is the SMILES notation for N,N-diphenyl-8-(2-triphenylsilylethenyl)dibenzothiophen-2-amine?
The canonical SMILES for N,N-diphenyl-8-(2-triphenylsilylethenyl)dibenzothiophen-2-amine is C(=C[Si](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc2sc3ccc(N(c4ccccc4)c4ccccc4)cc3c2c1.
What is the InChIKey of N,N-diphenyl-8-(2-triphenylsilylethenyl)dibenzothiophen-2-amine?
The InChIKey is FCTUCGXPSKYNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H33NSSi/c1-6-16-35(17-7-1)45(36-18-8-2-9-19-36)37-27-29-44-42(33-37)41-32-34(26-28-43(41)46-44)30-31-47(38-20-10-3-11-21-38,39-22-12-4-13-23-39)40-24-14-5-15-25-40/h1-33H.
What are the key properties of N,N-diphenyl-8-(2-triphenylsilylethenyl)dibenzothiophen-2-amine?
N,N-diphenyl-8-(2-triphenylsilylethenyl)dibenzothiophen-2-amine has a molecular weight of 635.91 g/mol, XLogP of 10.25, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-8-(2-triphenylsilylethenyl)dibenzothiophen-2-amine is sourced from PubChem (CID 123348498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).