CID 155427902

C70H42N2O4S2 — CID 155427902

IUPAC—
SMILESc1ccc(N(c2cc3c(o2)C2(c4ccccc4Oc4ccccc42)c2cc(N(c4ccccc4)c4cccc5sc6ccccc6c45)oc2C32c3ccccc3Oc3ccccc32)c2cccc3sc4ccccc4c23)cc1
InChIInChI=1S/C70H42N2O4S2/c1-3-21-43(22-4-1)71(53-31-19-39-61-65(53)45-25-7-17-37-59(45)77-61)63-41-51-67(75-63)70(49-29-11-15-35-57(49)74-58-36-16-12-30-50(58)70)52-42-64(76-68(52)69(51)47-27-9-13-33-55(47)73-56-34-14-10-28-48(56)69)72(44-23-5-2-6-24-44)54-32-20-40-62-66(54)46-26-8-18-38-60(46)78-62/h1-42H
InChIKeyVRJUPSDUNKAVBN-UHFFFAOYSA-N
MW1039.25 g/mol
LogP19.84
Rot. Bonds6

About CID 155427902

CID 155427902 (PubChem CID 155427902) has the molecular formula C70H42N2O4S2 and a molecular weight of 1039.25 g/mol.

Molecular Properties

Compound NameCID 155427902
PubChem CID155427902
Molecular FormulaC70H42N2O4S2
Molecular Weight1039.25 g/mol
Exact Mass1038.26
IUPAC Name—
SMILESc1ccc(N(c2cc3c(o2)C2(c4ccccc4Oc4ccccc42)c2cc(N(c4ccccc4)c4cccc5sc6ccccc6c45)oc2C32c3ccccc3Oc3ccccc32)c2cccc3sc4ccccc4c23)cc1
InChIInChI=1S/C70H42N2O4S2/c1-3-21-43(22-4-1)71(53-31-19-39-61-65(53)45-25-7-17-37-59(45)77-61)63-41-51-67(75-63)70(49-29-11-15-35-57(49)74-58-36-16-12-30-50(58)70)52-42-64(76-68(52)69(51)47-27-9-13-33-55(47)73-56-34-14-10-28-48(56)69)72(44-23-5-2-6-24-44)54-32-20-40-62-66(54)46-26-8-18-38-60(46)78-62/h1-42H
InChIKeyVRJUPSDUNKAVBN-UHFFFAOYSA-N
XLogP19.84
TPSA51.22 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001039.25
LogP ≤ 519.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-N-dibenzothiophen-1-yl-1-N,1-N-diphenyl-2-N-spiro[fluorene-9,9'-xanthene]-4-ylbenzene-1,2-diamine
CID 166960048
N-(3-phenylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)dibenzothiophen-1-amine
CID 167177336
N-dibenzothiophen-1-yl-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-xanthene]-1-amine;N-dibenzothiophen-2-yl-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-xanthene]-1-amine;N-dibenzothiophen-3-yl-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-xanthene]-1-amine
CID 163884895
N-dibenzofuran-2-yl-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-xanthene]-1-amine
CID 162771338
N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-phenyldibenzothiophen-1-amine
CID 156664835
N-dibenzothiophen-1-yl-N-spiro[fluorene-9,9'-xanthene]-1'-ylspiro[fluorene-9,9'-xanthene]-2'-amine;N-dibenzothiophen-1-yl-N-spiro[fluorene-9,9'-xanthene]-2'-ylspiro[fluorene-9,9'-xanthene]-2'-amine;N-dibenzothiophen-1-yl-N-spiro[fluorene-9,9'-xanthene]-2'-ylspiro[fluorene-9,9'-xanthene]-3'-amine
CID 158190990
N-dibenzothiophen-3-yl-N-phenylspiro[fluoreno[4,3-b][1]benzofuran-7,9'-xanthene]-4-amine
CID 162771327
N-(4-dibenzothiophen-1-ylphenyl)-N-phenyl-3-spiro[fluorene-9,9'-xanthene]-3-ylaniline
CID 167177079
N-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)spiro[fluoreno[2,3-b][1]benzothiole-7,9'-xanthene]-1-amine
CID 162771384
N-(4-dibenzothiophen-1-ylphenyl)-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 138477752
1-N,1-N,3-N-triphenyl-3-N-[6-(N-phenylanilino)dibenzothiophen-1-yl]dibenzothiophene-1,3-diamine
CID 146550696
N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-1-amine
CID 176605585

Frequently Asked Questions

What is the IUPAC name of CID 155427902?
The IUPAC name of CID 155427902 (CID 155427902) is not available.
What is the SMILES notation for CID 155427902?
The canonical SMILES for CID 155427902 is c1ccc(N(c2cc3c(o2)C2(c4ccccc4Oc4ccccc42)c2cc(N(c4ccccc4)c4cccc5sc6ccccc6c45)oc2C32c3ccccc3Oc3ccccc32)c2cccc3sc4ccccc4c23)cc1.
What is the InChIKey of CID 155427902?
The InChIKey is VRJUPSDUNKAVBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H42N2O4S2/c1-3-21-43(22-4-1)71(53-31-19-39-61-65(53)45-25-7-17-37-59(45)77-61)63-41-51-67(75-63)70(49-29-11-15-35-57(49)74-58-36-16-12-30-50(58)70)52-42-64(76-68(52)69(51)47-27-9-13-33-55(47)73-56-34-14-10-28-48(56)69)72(44-23-5-2-6-24-44)54-32-20-40-62-66(54)46-26-8-18-38-60(46)78-62/h1-42H.
What are the key properties of CID 155427902?
CID 155427902 has a molecular weight of 1039.25 g/mol, XLogP of 19.84, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155427902 is sourced from PubChem (CID 155427902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).