CID 155427831

C82H48N4O2S2 — CID 155427831

IUPAC—
SMILESc1ccc(N2c3ccccc3C3(c4ccccc42)c2cc(-n4c5ccccc5c5cc6sc7ccccc7c6cc54)oc2C2(c4ccccc4N(c4ccccc4)c4ccccc42)c2cc(-n4c5ccccc5c5cc6sc7ccccc7c6cc54)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)63-47-77(85-65-35-15-7-27-51(65)55-45-75-57(43-71(55)85)53-29-9-21-41-73(53)89-75)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)64-48-78(87-79(64)81)86-66-36-16-8-28-52(66)56-46-76-58(44-72(56)86)54-30-10-22-42-74(54)90-76/h1-48H
InChIKeyWKXRAUNQCOBLBO-UHFFFAOYSA-N
MW1185.45 g/mol
LogP22.45
Rot. Bonds4

About CID 155427831

CID 155427831 (PubChem CID 155427831) has the molecular formula C82H48N4O2S2 and a molecular weight of 1185.45 g/mol.

Molecular Properties

Compound NameCID 155427831
PubChem CID155427831
Molecular FormulaC82H48N4O2S2
Molecular Weight1185.45 g/mol
Exact Mass1184.32
IUPAC Name—
SMILESc1ccc(N2c3ccccc3C3(c4ccccc42)c2cc(-n4c5ccccc5c5cc6sc7ccccc7c6cc54)oc2C2(c4ccccc4N(c4ccccc4)c4ccccc42)c2cc(-n4c5ccccc5c5cc6sc7ccccc7c6cc54)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)63-47-77(85-65-35-15-7-27-51(65)55-45-75-57(43-71(55)85)53-29-9-21-41-73(53)89-75)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)64-48-78(87-79(64)81)86-66-36-16-8-28-52(66)56-46-76-58(44-72(56)86)54-30-10-22-42-74(54)90-76/h1-48H
InChIKeyWKXRAUNQCOBLBO-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

Analyze CID 155427831 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 155427835
CID 155427835
CID 160598394
CID 160598394
11-(9-phenylcarbazol-1-yl)-[1]benzothiolo[3,2-b]carbazole
CID 118502879
9-dibenzothiophen-3-yl-9-phenyl-10-[4-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]acridine
CID 146909198
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
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
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
2-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9,9-dimethyl-10-phenylacridine
CID 70936057
5'-dibenzothiophen-2-yl-10-phenylspiro[acridine-9,8'-chromeno[3,2-c]carbazole]
CID 134351862
3-(9-dibenzofuran-3-ylcarbazol-3-yl)-10-dibenzothiophen-3-ylspiro[acridine-9,9'-fluorene]
CID 129306364
5,11-diphenylindolo[3,2-b]carbazole;11-methyl-[1]benzofuro[3,2-b]carbazole;5-methyl-11-phenylindolo[3,2-b]carbazole;11-phenyl-[1]benzofuro[3,2-b]carbazole;11-phenyl-[1]benzothiolo[3,2-b]carbazole
CID 158354854
7-(3-carbazol-9-ylphenyl)-[1]benzothiolo[2,3-b]carbazole
CID 118503110

Frequently Asked Questions

What is the IUPAC name of CID 155427831?
The IUPAC name of CID 155427831 (CID 155427831) is not available.
What is the SMILES notation for CID 155427831?
The canonical SMILES for CID 155427831 is c1ccc(N2c3ccccc3C3(c4ccccc42)c2cc(-n4c5ccccc5c5cc6sc7ccccc7c6cc54)oc2C2(c4ccccc4N(c4ccccc4)c4ccccc42)c2cc(-n4c5ccccc5c5cc6sc7ccccc7c6cc54)oc23)cc1.
What is the InChIKey of CID 155427831?
The InChIKey is WKXRAUNQCOBLBO-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)63-47-77(85-65-35-15-7-27-51(65)55-45-75-57(43-71(55)85)53-29-9-21-41-73(53)89-75)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)64-48-78(87-79(64)81)86-66-36-16-8-28-52(66)56-46-76-58(44-72(56)86)54-30-10-22-42-74(54)90-76/h1-48H.
What are the key properties of CID 155427831?
CID 155427831 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 155427831 is sourced from PubChem (CID 155427831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).