CID 155427835

C82H48N4O2S2 — CID 155427835

IUPAC—
SMILESc1ccc(N2c3ccccc3C3(c4ccccc42)c2cc(-n4c5ccccc5c5cc6c(cc54)sc4ccccc46)oc2C2(c4ccccc4N(c4ccccc4)c4ccccc42)c2cc(-n4c5ccccc5c5cc6c(cc54)sc4ccccc46)oc23)cc1
InChIInChI=1S/C82H48N4O2S2/c1-3-23-49(24-4-1)83-67-37-17-11-31-59(67)81(60-32-12-18-38-68(60)83)63-45-77(85-65-35-15-7-27-51(65)55-43-57-53-29-9-21-41-73(53)89-75(57)47-71(55)85)88-80(63)82(61-33-13-19-39-69(61)84(50-25-5-2-6-26-50)70-40-20-14-34-62(70)82)64-46-78(87-79(64)81)86-66-36-16-8-28-52(66)56-44-58-54-30-10-22-42-74(54)90-76(58)48-72(56)86/h1-48H
InChIKeyZLCYAXIBUVOFFR-UHFFFAOYSA-N
MW1185.45 g/mol
LogP22.45
Rot. Bonds4

About CID 155427835

CID 155427835 (PubChem CID 155427835) has the molecular formula C82H48N4O2S2 and a molecular weight of 1185.45 g/mol.

Molecular Properties

Compound NameCID 155427835
PubChem CID155427835
Molecular FormulaC82H48N4O2S2
Molecular Weight1185.45 g/mol
Exact Mass1184.32
IUPAC Name—
SMILESc1ccc(N2c3ccccc3C3(c4ccccc42)c2cc(-n4c5ccccc5c5cc6c(cc54)sc4ccccc46)oc2C2(c4ccccc4N(c4ccccc4)c4ccccc42)c2cc(-n4c5ccccc5c5cc6c(cc54)sc4ccccc46)oc23)cc1
InChIInChI=1S/C82H48N4O2S2/c1-3-23-49(24-4-1)83-67-37-17-11-31-59(67)81(60-32-12-18-38-68(60)83)63-45-77(85-65-35-15-7-27-51(65)55-43-57-53-29-9-21-41-73(53)89-75(57)47-71(55)85)88-80(63)82(61-33-13-19-39-69(61)84(50-25-5-2-6-26-50)70-40-20-14-34-62(70)82)64-46-78(87-79(64)81)86-66-36-16-8-28-52(66)56-44-58-54-30-10-22-42-74(54)90-76(58)48-72(56)86/h1-48H
InChIKeyZLCYAXIBUVOFFR-UHFFFAOYSA-N
XLogP22.45
TPSA42.62 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001185.45
LogP ≤ 522.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

CID 155427831
CID 155427831
CID 160598394
CID 160598394
11-dibenzothiophen-2-yl-7,19-diphenyl-15-thia-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5(10),6,8,12,17,20,22,24,26-dodecaene;10',11-diphenyl-19-[4-[3-(4-phenylphenyl)phenyl]phenyl]spiro[11,19-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-15,9'-acridine];10',11-diphenyl-19-[3-(3-phenylphenyl)phenyl]spiro[11,19-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-15,9'-acridine];10',11-diphenyl-19-[4-(4-phenylphenyl)phenyl]spiro[11,19-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-15,9'-acridine];10'-phenyl-11-[3-(4-phenylphenyl)phenyl]-19-[4-(4-phenylphenyl)phenyl]spiro[11,19-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-15,9'-acridine];10',11,19-triphenylspiro[11,19-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-15,9'-acridine]
CID 159248171
11-dibenzothiophen-2-yl-7,19-diphenyl-15-thia-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5(10),6,8,12,17,20,22,24,26-dodecaene;10',11-diphenyl-19-[3-(3-phenylphenyl)phenyl]spiro[11,19-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-15,9'-acridine];10',11-diphenyl-19-[3-(4-phenylphenyl)phenyl]spiro[11,19-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-15,9'-acridine];10',11-diphenyl-19-[4-(4-phenylphenyl)phenyl]spiro[11,19-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-15,9'-acridine];10'-phenyl-11-[3-(4-phenylphenyl)phenyl]-19-[4-(4-phenylphenyl)phenyl]spiro[11,19-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-15,9'-acridine];10',11,19-triphenylspiro[11,19-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-15,9'-acridine]
CID 160978877
7-(3-carbazol-9-ylphenyl)-[1]benzothiolo[2,3-b]carbazole
CID 118503110
7-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]carbazole
CID 89472332
7-[2-[2-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole
CID 126652548
3'-carbazol-9-yl-10',14-diphenylspiro[10-thia-14λ5-phosphapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-acridine] 14-oxide
CID 164736553
9-dibenzothiophen-3-yl-9-phenyl-10-[4-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]acridine
CID 146909198
10-(5,7-diphenylindolo[2,3-b]carbazol-2-yl)-7-phenyl-[1]benzothiolo[2,3-b]carbazole
CID 134223312
2-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9,9-dimethyl-10-phenylacridine
CID 70936057
7-[3-[3-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole
CID 167193311

Frequently Asked Questions

What is the IUPAC name of CID 155427835?
The IUPAC name of CID 155427835 (CID 155427835) is not available.
What is the SMILES notation for CID 155427835?
The canonical SMILES for CID 155427835 is c1ccc(N2c3ccccc3C3(c4ccccc42)c2cc(-n4c5ccccc5c5cc6c(cc54)sc4ccccc46)oc2C2(c4ccccc4N(c4ccccc4)c4ccccc42)c2cc(-n4c5ccccc5c5cc6c(cc54)sc4ccccc46)oc23)cc1.
What is the InChIKey of CID 155427835?
The InChIKey is ZLCYAXIBUVOFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H48N4O2S2/c1-3-23-49(24-4-1)83-67-37-17-11-31-59(67)81(60-32-12-18-38-68(60)83)63-45-77(85-65-35-15-7-27-51(65)55-43-57-53-29-9-21-41-73(53)89-75(57)47-71(55)85)88-80(63)82(61-33-13-19-39-69(61)84(50-25-5-2-6-26-50)70-40-20-14-34-62(70)82)64-46-78(87-79(64)81)86-66-36-16-8-28-52(66)56-44-58-54-30-10-22-42-74(54)90-76(58)48-72(56)86/h1-48H.
What are the key properties of CID 155427835?
CID 155427835 has a molecular weight of 1185.45 g/mol, XLogP of 22.45, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155427835 is sourced from PubChem (CID 155427835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).