N-dibenzothiophen-2-yl-N-phenyl-10,10'-spirobi[benzo[b][1,4]benzothiasiline]-2-amine

C42H27NS3Si — CID 147492660

IUPACN-dibenzothiophen-2-yl-N-phenyl-10,10'-spirobi[benzo[b][1,4]benzothiasiline]-2-amine
SMILESc1ccc(N(c2ccc3c(c2)[Si]2(c4ccccc4Sc4ccccc42)c2ccccc2S3)c2ccc3sc4ccccc4c3c2)cc1
InChIInChI=1S/C42H27NS3Si/c1-2-12-28(13-3-1)43(29-22-24-34-32(26-29)31-14-4-5-15-33(31)44-34)30-23-25-38-42(27-30)47(41-21-11-8-18-37(41)46-38)39-19-9-6-16-35(39)45-36-17-7-10-20-40(36)47/h1-27H
InChIKeyFFVLGXNCJKAVQI-UHFFFAOYSA-N
MW669.97 g/mol
LogP9.83
Rot. Bonds3

About N-dibenzothiophen-2-yl-N-phenyl-10,10'-spirobi[benzo[b][1,4]benzothiasiline]-2-amine

N-dibenzothiophen-2-yl-N-phenyl-10,10'-spirobi[benzo[b][1,4]benzothiasiline]-2-amine (PubChem CID 147492660) has the molecular formula C42H27NS3Si and a molecular weight of 669.97 g/mol. Its IUPAC name is N-dibenzothiophen-2-yl-N-phenyl-10,10'-spirobi[benzo[b][1,4]benzothiasiline]-2-amine.

Molecular Properties

Compound NameN-dibenzothiophen-2-yl-N-phenyl-10,10'-spirobi[benzo[b][1,4]benzothiasiline]-2-amine
PubChem CID147492660
Molecular FormulaC42H27NS3Si
Molecular Weight669.97 g/mol
Exact Mass669.11
IUPAC NameN-dibenzothiophen-2-yl-N-phenyl-10,10'-spirobi[benzo[b][1,4]benzothiasiline]-2-amine
SMILESc1ccc(N(c2ccc3c(c2)[Si]2(c4ccccc4Sc4ccccc42)c2ccccc2S3)c2ccc3sc4ccccc4c3c2)cc1
InChIInChI=1S/C42H27NS3Si/c1-2-12-28(13-3-1)43(29-22-24-34-32(26-29)31-14-4-5-15-33(31)44-34)30-23-25-38-42(27-30)47(41-21-11-8-18-37(41)46-38)39-19-9-6-16-35(39)45-36-17-7-10-20-40(36)47/h1-27H
InChIKeyFFVLGXNCJKAVQI-UHFFFAOYSA-N
XLogP9.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500669.97
LogP ≤ 59.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-dibenzothiophen-2-yl-N-phenyl-10,10'-spirobi[benzo[b][1,4]benzothiasiline]-2-amine with MolForge

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Related Compounds

7-N-dibenzothiophen-2-yl-2-N,2-N,7-N-triphenylthianthrene-2,7-diamine
CID 161333669
7-chloro-N-dibenzothiophen-2-yl-N-phenylthianthren-2-amine
CID 154971789
N-(4-dibenzothiophen-4-ylphenyl)-N-phenylspiro[benzo[b][1,4]benzothiasiline-10,5'-benzo[b][1]benzosilole]-3'-amine
CID 147293556
N-dibenzothiophen-2-yl-N,5,5-triphenylspiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2-amine
CID 148806653
N-phenyl-N-(10,10'-spirobi[benzo[b][1,4]benzothiasiline]-2-yl)dibenzofuran-3-amine
CID 148736996
2-N,7-N-di(dibenzothiophen-2-yl)-7-N-dibenzothiophen-3-yl-2-N-phenyldibenzothiophene-2,7-diamine
CID 130327123
N-(4-naphthalen-1-ylphenyl)-N-phenyl-10,10'-spirobi[benzo[b][1,4]benzothiasiline]-2-amine
CID 148835041
N-phenyl-N-(4-phenylphenyl)spiro[benzo[b][1,4]benzothiasiline-10,5'-benzo[b][1]benzosilole]-2-amine
CID 149430365
N,N-bis(4-phenylphenyl)spiro[benzo[b][1,4]benzothiasiline-10,5'-benzo[b][1]benzosilole]-2-amine
CID 153221208
N-dibenzothiophen-2-yl-N,5',5'-triphenylspiro[benzo[b][1,4]benzothiasiline-10,10'-silanthrene]-2'-amine;N-dibenzothiophen-4-yl-N,5',5'-triphenylspiro[benzo[b][1,4]benzothiasiline-10,10'-silanthrene]-2'-amine;N-(5',5'-diphenylspiro[benzo[b][1,4]benzothiasiline-10,10'-silanthrene]-2'-yl)-N-phenyldibenzofuran-1-amine;N-(5',5'-diphenylspiro[benzo[b][1,4]benzothiasiline-10,10'-silanthrene]-2'-yl)-N-phenyldibenzofuran-3-amine
CID 158994897
N-dibenzothiophen-2-yl-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 90350979
2-N,2-N,7-N-triphenyl-7-N-triphenylen-2-yldibenzothiophene-2,7-diamine
CID 146576040

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-2-yl-N-phenyl-10,10'-spirobi[benzo[b][1,4]benzothiasiline]-2-amine?
The IUPAC name of N-dibenzothiophen-2-yl-N-phenyl-10,10'-spirobi[benzo[b][1,4]benzothiasiline]-2-amine (CID 147492660) is N-dibenzothiophen-2-yl-N-phenyl-10,10'-spirobi[benzo[b][1,4]benzothiasiline]-2-amine.
What is the SMILES notation for N-dibenzothiophen-2-yl-N-phenyl-10,10'-spirobi[benzo[b][1,4]benzothiasiline]-2-amine?
The canonical SMILES for N-dibenzothiophen-2-yl-N-phenyl-10,10'-spirobi[benzo[b][1,4]benzothiasiline]-2-amine is c1ccc(N(c2ccc3c(c2)[Si]2(c4ccccc4Sc4ccccc42)c2ccccc2S3)c2ccc3sc4ccccc4c3c2)cc1.
What is the InChIKey of N-dibenzothiophen-2-yl-N-phenyl-10,10'-spirobi[benzo[b][1,4]benzothiasiline]-2-amine?
The InChIKey is FFVLGXNCJKAVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27NS3Si/c1-2-12-28(13-3-1)43(29-22-24-34-32(26-29)31-14-4-5-15-33(31)44-34)30-23-25-38-42(27-30)47(41-21-11-8-18-37(41)46-38)39-19-9-6-16-35(39)45-36-17-7-10-20-40(36)47/h1-27H.
What are the key properties of N-dibenzothiophen-2-yl-N-phenyl-10,10'-spirobi[benzo[b][1,4]benzothiasiline]-2-amine?
N-dibenzothiophen-2-yl-N-phenyl-10,10'-spirobi[benzo[b][1,4]benzothiasiline]-2-amine has a molecular weight of 669.97 g/mol, XLogP of 9.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-2-yl-N-phenyl-10,10'-spirobi[benzo[b][1,4]benzothiasiline]-2-amine is sourced from PubChem (CID 147492660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).