CID 155427871

C82H52N4S4 — CID 155427871

IUPAC—
SMILESc1ccc(N(c2ccc3c(c2)sc2ccccc23)c2cc3c(s2)C2(c4ccccc4N(c4ccccc4)c4ccccc42)c2cc(N(c4ccccc4)c4ccc5c(c4)sc4ccccc45)sc2C32c3ccccc3N(c3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C82H52N4S4/c1-5-25-53(26-6-1)83(57-45-47-61-59-33-13-23-43-73(59)87-75(61)49-57)77-51-67-79(89-77)82(65-37-17-21-41-71(65)86(56-31-11-4-12-32-56)72-42-22-18-38-66(72)82)68-52-78(84(54-27-7-2-8-28-54)58-46-48-62-60-34-14-24-44-74(60)88-76(62)50-58)90-80(68)81(67)63-35-15-19-39-69(63)85(55-29-9-3-10-30-55)70-40-20-16-36-64(70)81/h1-52H
InChIKeyHQFQOAVKVDKXAM-UHFFFAOYSA-N
MW1221.61 g/mol
LogP24.13
Rot. Bonds8

About CID 155427871

CID 155427871 (PubChem CID 155427871) has the molecular formula C82H52N4S4 and a molecular weight of 1221.61 g/mol.

Molecular Properties

Compound NameCID 155427871
PubChem CID155427871
Molecular FormulaC82H52N4S4
Molecular Weight1221.61 g/mol
Exact Mass1220.31
IUPAC Name—
SMILESc1ccc(N(c2ccc3c(c2)sc2ccccc23)c2cc3c(s2)C2(c4ccccc4N(c4ccccc4)c4ccccc42)c2cc(N(c4ccccc4)c4ccc5c(c4)sc4ccccc45)sc2C32c3ccccc3N(c3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C82H52N4S4/c1-5-25-53(26-6-1)83(57-45-47-61-59-33-13-23-43-73(59)87-75(61)49-57)77-51-67-79(89-77)82(65-37-17-21-41-71(65)86(56-31-11-4-12-32-56)72-42-22-18-38-66(72)82)68-52-78(84(54-27-7-2-8-28-54)58-46-48-62-60-34-14-24-44-74(60)88-76(62)50-58)90-80(68)81(67)63-35-15-19-39-69(63)85(55-29-9-3-10-30-55)70-40-20-16-36-64(70)81/h1-52H
InChIKeyHQFQOAVKVDKXAM-UHFFFAOYSA-N
XLogP24.13
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001221.61
LogP ≤ 524.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

CID 155427859
CID 155427859
N-dibenzothiophen-2-yl-N,10-diphenylspiro[acridine-9,9'-fluorene]-2'-amine
CID 134309219
N-[4-(1,13-diphenyl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)dibenzothiophen-3-amine
CID 168750641
N,14-diphenyl-N-spiro[fluoreno[3,2-b][1]benzothiole-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-amine
CID 130463457
N-(3-dibenzothiophen-2-ylphenyl)-10-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-2'-amine
CID 155240364
N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine
CID 155240522
2-N,7-N-di(dibenzothiophen-2-yl)-7-N-dibenzothiophen-3-yl-2-N-phenyldibenzothiophene-2,7-diamine
CID 130327123
N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine
CID 134309283
N-dibenzothiophen-2-yl-10-phenyl-N-[2-(2-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine
CID 135166688
N-dibenzothiophen-4-yl-10-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-2'-amine
CID 147879368
10-dibenzothiophen-3-yl-N-phenyl-N-(9-phenylcarbazol-2-yl)phenoxazin-3-amine
CID 164811785
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 CID 155427871?
The IUPAC name of CID 155427871 (CID 155427871) is not available.
What is the SMILES notation for CID 155427871?
The canonical SMILES for CID 155427871 is c1ccc(N(c2ccc3c(c2)sc2ccccc23)c2cc3c(s2)C2(c4ccccc4N(c4ccccc4)c4ccccc42)c2cc(N(c4ccccc4)c4ccc5c(c4)sc4ccccc45)sc2C32c3ccccc3N(c3ccccc3)c3ccccc32)cc1.
What is the InChIKey of CID 155427871?
The InChIKey is HQFQOAVKVDKXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H52N4S4/c1-5-25-53(26-6-1)83(57-45-47-61-59-33-13-23-43-73(59)87-75(61)49-57)77-51-67-79(89-77)82(65-37-17-21-41-71(65)86(56-31-11-4-12-32-56)72-42-22-18-38-66(72)82)68-52-78(84(54-27-7-2-8-28-54)58-46-48-62-60-34-14-24-44-74(60)88-76(62)50-58)90-80(68)81(67)63-35-15-19-39-69(63)85(55-29-9-3-10-30-55)70-40-20-16-36-64(70)81/h1-52H.
What are the key properties of CID 155427871?
CID 155427871 has a molecular weight of 1221.61 g/mol, XLogP of 24.13, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155427871 is sourced from PubChem (CID 155427871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).