CID 166902220

C64H52N2S — CID 166902220

IUPAC—
SMILESc1ccc(C2=NC(c3ccccc3)C(c3cccc4c3sc3ccc(-c5ccc6c(c5)-c5cc7c(cc5C65CCCCC5)-c5ccccc5C75CCCCC5)cc34)N=C2c2ccccc2)cc1
InChIInChI=1S/C64H52N2S/c1-6-19-41(20-7-1)58-59(42-21-8-2-9-22-42)66-61(60(65-58)43-23-10-3-11-24-43)48-27-18-26-47-52-38-45(30-32-57(52)67-62(47)48)44-29-31-54-49(37-44)51-40-55-50(39-56(51)64(54)35-16-5-17-36-64)46-25-12-13-28-53(46)63(55)33-14-4-15-34-63/h1-3,6-13,18-32,37-40,60-61H,4-5,14-17,33-36H2
InChIKeyXJEZBKCVMAXBAV-UHFFFAOYSA-N
MW881.20 g/mol
LogP16.96
Rot. Bonds5

About CID 166902220

CID 166902220 (PubChem CID 166902220) has the molecular formula C64H52N2S and a molecular weight of 881.20 g/mol.

Molecular Properties

Compound NameCID 166902220
PubChem CID166902220
Molecular FormulaC64H52N2S
Molecular Weight881.20 g/mol
Exact Mass880.39
IUPAC Name—
SMILESc1ccc(C2=NC(c3ccccc3)C(c3cccc4c3sc3ccc(-c5ccc6c(c5)-c5cc7c(cc5C65CCCCC5)-c5ccccc5C75CCCCC5)cc34)N=C2c2ccccc2)cc1
InChIInChI=1S/C64H52N2S/c1-6-19-41(20-7-1)58-59(42-21-8-2-9-22-42)66-61(60(65-58)43-23-10-3-11-24-43)48-27-18-26-47-52-38-45(30-32-57(52)67-62(47)48)44-29-31-54-49(37-44)51-40-55-50(39-56(51)64(54)35-16-5-17-36-64)46-25-12-13-28-53(46)63(55)33-14-4-15-34-63/h1-3,6-13,18-32,37-40,60-61H,4-5,14-17,33-36H2
InChIKeyXJEZBKCVMAXBAV-UHFFFAOYSA-N
XLogP16.96
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500881.20
LogP ≤ 516.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[8-(12',12'-dimethylspiro[cyclohexane-1,6'-indeno[1,2-b]fluorene]-2'-yl)dibenzothiophen-4-yl]-2,6-diphenylpyrimidine
CID 166902505
2,4-diphenyl-6-(6-spiro[cyclohexane-1,9'-fluorene]-3'-yldibenzofuran-2-yl)pyrimidine;2,4-diphenyl-6-(6-spiro[cyclohexane-1,9'-fluorene]-3'-yldibenzothiophen-2-yl)pyrimidine
CID 159948006
CID 166902290
CID 166902290
CID 166903026
CID 166903026
8-[4-(N-dibenzothiophen-4-yl-4-spiro[cyclohexane-1,9'-fluorene]-2'-ylanilino)-3-[2-(2-phenylphenyl)phenyl]phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-4-amine
CID 170118562
CID 166902415
CID 166902415
2-[3-[3-(6',6'-dimethylspiro[cyclohexane-1,12'-indeno[1,2-b]fluorene]-4'-yl)phenyl]phenyl]-4-phenyl-1,2-dihydro-[1]benzothiolo[2,3-d]pyrimidine
CID 166901962
2-phenyl-4-(4-phenylphenyl)-6-[4-[3-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[4-[4-(3-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[4-[4-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 159202142
2'-phenylspiro[cyclohexane-1,9'-fluorene]
CID 123183554
2-[4-[3-(12',12'-dimethylspiro[cyclohexane-1,6'-indeno[1,2-b]fluorene]-3'-yl)phenyl]phenyl]-3,5,6-triphenylpyrazine
CID 166903120
2,4-diphenyl-6-(8-spiro[cyclohexane-1,9'-fluorene]-1'-yldibenzothiophen-2-yl)pyrimidine
CID 161130364
CID 166901896
CID 166901896

Frequently Asked Questions

What is the IUPAC name of CID 166902220?
The IUPAC name of CID 166902220 (CID 166902220) is not available.
What is the SMILES notation for CID 166902220?
The canonical SMILES for CID 166902220 is c1ccc(C2=NC(c3ccccc3)C(c3cccc4c3sc3ccc(-c5ccc6c(c5)-c5cc7c(cc5C65CCCCC5)-c5ccccc5C75CCCCC5)cc34)N=C2c2ccccc2)cc1.
What is the InChIKey of CID 166902220?
The InChIKey is XJEZBKCVMAXBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H52N2S/c1-6-19-41(20-7-1)58-59(42-21-8-2-9-22-42)66-61(60(65-58)43-23-10-3-11-24-43)48-27-18-26-47-52-38-45(30-32-57(52)67-62(47)48)44-29-31-54-49(37-44)51-40-55-50(39-56(51)64(54)35-16-5-17-36-64)46-25-12-13-28-53(46)63(55)33-14-4-15-34-63/h1-3,6-13,18-32,37-40,60-61H,4-5,14-17,33-36H2.
What are the key properties of CID 166902220?
CID 166902220 has a molecular weight of 881.20 g/mol, XLogP of 16.96, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 166902220 is sourced from PubChem (CID 166902220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).