CID 155427883

C70H38N2O2S2 — CID 155427883

IUPAC—
SMILESc1ccc2c(c1)-c1ccccc1C21c2cc(-n3c4ccccc4c4cc5oc6ccccc6c5cc43)sc2C2(c3ccccc3-c3ccccc32)c2cc(-n3c4ccccc4c4cc5oc6ccccc6c5cc43)sc21
InChIInChI=1S/C70H38N2O2S2/c1-9-25-51-39(17-1)40-18-2-10-26-52(40)69(51)55-37-65(71-57-29-13-5-21-43(57)47-35-63-49(33-59(47)71)45-23-7-15-31-61(45)73-63)76-68(55)70(53-27-11-3-19-41(53)42-20-4-12-28-54(42)70)56-38-66(75-67(56)69)72-58-30-14-6-22-44(58)48-36-64-50(34-60(48)72)46-24-8-16-32-62(46)74-64/h1-38H
InChIKeyGTWMYNXQVBHJCE-UHFFFAOYSA-N
MW1003.22 g/mol
LogP18.84
Rot. Bonds2

About CID 155427883

CID 155427883 (PubChem CID 155427883) has the molecular formula C70H38N2O2S2 and a molecular weight of 1003.22 g/mol.

Molecular Properties

Compound NameCID 155427883
PubChem CID155427883
Molecular FormulaC70H38N2O2S2
Molecular Weight1003.22 g/mol
Exact Mass1002.24
IUPAC Name—
SMILESc1ccc2c(c1)-c1ccccc1C21c2cc(-n3c4ccccc4c4cc5oc6ccccc6c5cc43)sc2C2(c3ccccc3-c3ccccc32)c2cc(-n3c4ccccc4c4cc5oc6ccccc6c5cc43)sc21
InChIInChI=1S/C70H38N2O2S2/c1-9-25-51-39(17-1)40-18-2-10-26-52(40)69(51)55-37-65(71-57-29-13-5-21-43(57)47-35-63-49(33-59(47)71)45-23-7-15-31-61(45)73-63)76-68(55)70(53-27-11-3-19-41(53)42-20-4-12-28-54(42)70)56-38-66(75-67(56)69)72-58-30-14-6-22-44(58)48-36-64-50(34-60(48)72)46-24-8-16-32-62(46)74-64/h1-38H
InChIKeyGTWMYNXQVBHJCE-UHFFFAOYSA-N
XLogP18.84
TPSA36.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001003.22
LogP ≤ 518.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 134551686
15-phenyl-19-[4-(9-phenylfluoren-9-yl)phenyl]-11-oxa-15,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
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11-phenyl-[1]benzofuro[3,2-b]carbazole
CID 102324620
15-phenyl-19-[3-(9-phenylfluoren-9-yl)phenyl]-11-oxa-15,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
CID 118546032
CID 155428129
CID 155428129
4-([1]benzofuro[3,2-b]carbazol-11-yl)aniline
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3-(6-dibenzofuran-2-yl-9,9'-spirobi[fluorene]-3-yl)-9-(4-methylphenyl)carbazole
CID 121400315
10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaene;ethane
CID 154692122
CID 158445752
CID 158445752
11-[2-(5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-b]carbazole
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Frequently Asked Questions

What is the IUPAC name of CID 155427883?
The IUPAC name of CID 155427883 (CID 155427883) is not available.
What is the SMILES notation for CID 155427883?
The canonical SMILES for CID 155427883 is c1ccc2c(c1)-c1ccccc1C21c2cc(-n3c4ccccc4c4cc5oc6ccccc6c5cc43)sc2C2(c3ccccc3-c3ccccc32)c2cc(-n3c4ccccc4c4cc5oc6ccccc6c5cc43)sc21.
What is the InChIKey of CID 155427883?
The InChIKey is GTWMYNXQVBHJCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H38N2O2S2/c1-9-25-51-39(17-1)40-18-2-10-26-52(40)69(51)55-37-65(71-57-29-13-5-21-43(57)47-35-63-49(33-59(47)71)45-23-7-15-31-61(45)73-63)76-68(55)70(53-27-11-3-19-41(53)42-20-4-12-28-54(42)70)56-38-66(75-67(56)69)72-58-30-14-6-22-44(58)48-36-64-50(34-60(48)72)46-24-8-16-32-62(46)74-64/h1-38H.
What are the key properties of CID 155427883?
CID 155427883 has a molecular weight of 1003.22 g/mol, XLogP of 18.84, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155427883 is sourced from PubChem (CID 155427883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).