CID 155428075

C76H54N2O2S2 — CID 155428075

IUPAC—
SMILESCC1(C)c2ccccc2C2(c3ccccc31)c1cc(N(c3ccccc3)c3ccc4c(c3)oc3ccccc34)sc1C1(c3ccccc3C(C)(C)c3ccccc31)c1cc(N(c3ccccc3)c3ccc4c(c3)oc3ccccc34)sc12
InChIInChI=1S/C76H54N2O2S2/c1-73(2)55-29-13-17-33-59(55)75(60-34-18-14-30-56(60)73)63-45-69(77(47-23-7-5-8-24-47)49-39-41-53-51-27-11-21-37-65(51)79-67(53)43-49)82-72(63)76(61-35-19-15-31-57(61)74(3,4)58-32-16-20-36-62(58)76)64-46-70(81-71(64)75)78(48-25-9-6-10-26-48)50-40-42-54-52-28-12-22-38-66(52)80-68(54)44-50/h5-46H,1-4H3
InChIKeyXZAXIIOSALHFRU-UHFFFAOYSA-N
MW1091.41 g/mol
LogP20.91
Rot. Bonds6

About CID 155428075

CID 155428075 (PubChem CID 155428075) has the molecular formula C76H54N2O2S2 and a molecular weight of 1091.41 g/mol.

Molecular Properties

Compound NameCID 155428075
PubChem CID155428075
Molecular FormulaC76H54N2O2S2
Molecular Weight1091.41 g/mol
Exact Mass1090.36
IUPAC Name—
SMILESCC1(C)c2ccccc2C2(c3ccccc31)c1cc(N(c3ccccc3)c3ccc4c(c3)oc3ccccc34)sc1C1(c3ccccc3C(C)(C)c3ccccc31)c1cc(N(c3ccccc3)c3ccc4c(c3)oc3ccccc34)sc12
InChIInChI=1S/C76H54N2O2S2/c1-73(2)55-29-13-17-33-59(55)75(60-34-18-14-30-56(60)73)63-45-69(77(47-23-7-5-8-24-47)49-39-41-53-51-27-11-21-37-65(51)79-67(53)43-49)82-72(63)76(61-35-19-15-31-57(61)74(3,4)58-32-16-20-36-62(58)76)64-46-70(81-71(64)75)78(48-25-9-6-10-26-48)50-40-42-54-52-28-12-22-38-66(52)80-68(54)44-50/h5-46H,1-4H3
InChIKeyXZAXIIOSALHFRU-UHFFFAOYSA-N
XLogP20.91
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001091.41
LogP ≤ 520.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 155428080
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CID 155655430
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4-N-dibenzofuran-2-yl-4-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-1-N,1-N-diphenylbenzene-1,4-diamine
CID 138667387
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CID 140919877
N-phenyl-N-[4-(14-phenyl-6-oxatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaen-14-yl)phenyl]dibenzofuran-3-amine
CID 129230912
2-N,6-N-di(dibenzofuran-3-yl)-9,10-bis(9,9-dimethylfluoren-2-yl)-2-N,6-N-diphenylanthracene-2,6-diamine
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CID 146540690
8-N-dibenzofuran-3-yl-8-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyldibenzothiophene-1,8-diamine
CID 167309913
4-(4-dibenzofuran-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenylaniline
CID 67964120
16-N-dibenzofuran-3-yl-3,3,19,19-tetramethyl-6-N-phenyl-6-N,16-N-bis(2-phenylphenyl)-11-thiapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine
CID 122661071

Frequently Asked Questions

What is the IUPAC name of CID 155428075?
The IUPAC name of CID 155428075 (CID 155428075) is not available.
What is the SMILES notation for CID 155428075?
The canonical SMILES for CID 155428075 is CC1(C)c2ccccc2C2(c3ccccc31)c1cc(N(c3ccccc3)c3ccc4c(c3)oc3ccccc34)sc1C1(c3ccccc3C(C)(C)c3ccccc31)c1cc(N(c3ccccc3)c3ccc4c(c3)oc3ccccc34)sc12.
What is the InChIKey of CID 155428075?
The InChIKey is XZAXIIOSALHFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H54N2O2S2/c1-73(2)55-29-13-17-33-59(55)75(60-34-18-14-30-56(60)73)63-45-69(77(47-23-7-5-8-24-47)49-39-41-53-51-27-11-21-37-65(51)79-67(53)43-49)82-72(63)76(61-35-19-15-31-57(61)74(3,4)58-32-16-20-36-62(58)76)64-46-70(81-71(64)75)78(48-25-9-6-10-26-48)50-40-42-54-52-28-12-22-38-66(52)80-68(54)44-50/h5-46H,1-4H3.
What are the key properties of CID 155428075?
CID 155428075 has a molecular weight of 1091.41 g/mol, XLogP of 20.91, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155428075 is sourced from PubChem (CID 155428075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).