5,5-dioxo-N,N,10-triphenylbenzo[b][1,4]benzothiaphosphinin-3-amine

C30H22NO2PS — CID 144851721

IUPAC5,5-dioxo-N,N,10-triphenylbenzo[b][1,4]benzothiaphosphinin-3-amine
SMILESO=S1(=O)c2ccccc2P(c2ccccc2)c2ccc(N(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C30H22NO2PS/c32-35(33)29-19-11-10-18-27(29)34(26-16-8-3-9-17-26)28-21-20-25(22-30(28)35)31(23-12-4-1-5-13-23)24-14-6-2-7-15-24/h1-22H
InChIKeyDCHBUDLMUPUGQB-UHFFFAOYSA-N
MW491.55 g/mol
LogP6.06
Rot. Bonds4

About 5,5-dioxo-N,N,10-triphenylbenzo[b][1,4]benzothiaphosphinin-3-amine

5,5-dioxo-N,N,10-triphenylbenzo[b][1,4]benzothiaphosphinin-3-amine (PubChem CID 144851721) has the molecular formula C30H22NO2PS and a molecular weight of 491.55 g/mol. Its IUPAC name is 5,5-dioxo-N,N,10-triphenylbenzo[b][1,4]benzothiaphosphinin-3-amine.

Molecular Properties

Compound Name5,5-dioxo-N,N,10-triphenylbenzo[b][1,4]benzothiaphosphinin-3-amine
PubChem CID144851721
Molecular FormulaC30H22NO2PS
Molecular Weight491.55 g/mol
Exact Mass491.11
IUPAC Name5,5-dioxo-N,N,10-triphenylbenzo[b][1,4]benzothiaphosphinin-3-amine
SMILESO=S1(=O)c2ccccc2P(c2ccccc2)c2ccc(N(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C30H22NO2PS/c32-35(33)29-19-11-10-18-27(29)34(26-16-8-3-9-17-26)28-21-20-25(22-30(28)35)31(23-12-4-1-5-13-23)24-14-6-2-7-15-24/h1-22H
InChIKeyDCHBUDLMUPUGQB-UHFFFAOYSA-N
XLogP6.06
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.55
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5,5-dioxo-N,N,10-triphenylbenzo[b][1,4]benzothiaphosphinin-3-amine with MolForge

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Related Compounds

5,5-dioxo-3-N,3-N,7-N,7-N-tetraphenyldibenzothiophene-3,7-diamine
CID 153472839
1-N,1-N,3-N-triphenyl-3-N-[3-(N-[3-(N-[3-(N-phenylanilino)phenyl]anilino)phenyl]anilino)phenyl]benzene-1,3-diamine
CID 58623553
1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
CID 4163727
4-(1,1-dioxo-1-benzothiophen-2-yl)-N,N-diphenylaniline
CID 132564809
1-N,1-N,3-N,3-N-tetraphenyl-5-silylbenzene-1,3-diamine
CID 123228848
3-N-[3-(N-[3-(N-[3-(N-[3,5-bis(N-phenylanilino)phenyl]anilino)phenyl]anilino)-5-(N-phenylanilino)phenyl]anilino)phenyl]-1-N,1-N,3-N,5-N,5-N-pentakis-phenylbenzene-1,3,5-triamine
CID 155054486
ethane;1-N,1-N,4-N,4-N-tetraphenylbenzene-1,4-diamine
CID 91310242
1-N,1-N,4-N-triphenyl-4-N-[3-[3-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 131863770
N,N-diphenylaniline;silane
CID 131739129
benzylbenzene;1,6-dibromo-10,10-dioxothioxanthen-9-one;10,10-dioxo-1,6-bis(N-phenylanilino)thioxanthen-9-one
CID 158471085
1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;1-N,1-N,4-N-triphenyl-4-N-[4-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]benzene-1,4-diamine
CID 162077719
N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N,N-diphenyl-4-[4-[4-(N-[4-[4-(N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 158321968

Frequently Asked Questions

What is the IUPAC name of 5,5-dioxo-N,N,10-triphenylbenzo[b][1,4]benzothiaphosphinin-3-amine?
The IUPAC name of 5,5-dioxo-N,N,10-triphenylbenzo[b][1,4]benzothiaphosphinin-3-amine (CID 144851721) is 5,5-dioxo-N,N,10-triphenylbenzo[b][1,4]benzothiaphosphinin-3-amine.
What is the SMILES notation for 5,5-dioxo-N,N,10-triphenylbenzo[b][1,4]benzothiaphosphinin-3-amine?
The canonical SMILES for 5,5-dioxo-N,N,10-triphenylbenzo[b][1,4]benzothiaphosphinin-3-amine is O=S1(=O)c2ccccc2P(c2ccccc2)c2ccc(N(c3ccccc3)c3ccccc3)cc21.
What is the InChIKey of 5,5-dioxo-N,N,10-triphenylbenzo[b][1,4]benzothiaphosphinin-3-amine?
The InChIKey is DCHBUDLMUPUGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22NO2PS/c32-35(33)29-19-11-10-18-27(29)34(26-16-8-3-9-17-26)28-21-20-25(22-30(28)35)31(23-12-4-1-5-13-23)24-14-6-2-7-15-24/h1-22H.
What are the key properties of 5,5-dioxo-N,N,10-triphenylbenzo[b][1,4]benzothiaphosphinin-3-amine?
5,5-dioxo-N,N,10-triphenylbenzo[b][1,4]benzothiaphosphinin-3-amine has a molecular weight of 491.55 g/mol, XLogP of 6.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dioxo-N,N,10-triphenylbenzo[b][1,4]benzothiaphosphinin-3-amine is sourced from PubChem (CID 144851721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).