9-cyclohexa-1,3-dien-1-yl-3-[9-[4-(6,7-dihydrodibenzothiophen-4-yl)-6,7,8,8a-tetrahydroquinazolin-2-yl]-5-methyl-3,4,5,6,7,8-hexahydrocarbazol-3-yl]carbazole

C51H46N4S — CID 163548212

IUPAC9-cyclohexa-1,3-dien-1-yl-3-[9-[4-(6,7-dihydrodibenzothiophen-4-yl)-6,7,8,8a-tetrahydroquinazolin-2-yl]-5-methyl-3,4,5,6,7,8-hexahydrocarbazol-3-yl]carbazole
SMILESCC1CCCc2c1c1c(n2C2=NC3CCCC=C3C(c3cccc4c5c(sc34)CCC=C5)=N2)C=CC(c2ccc3c(c2)c2ccccc2n3C2=CC=CCC2)C1
InChIInChI=1S/C51H46N4S/c1-31-13-11-23-46-48(31)41-30-33(32-25-27-44-40(29-32)35-16-6-9-22-43(35)54(44)34-14-3-2-4-15-34)26-28-45(41)55(46)51-52-42-21-8-5-18-38(42)49(53-51)39-20-12-19-37-36-17-7-10-24-47(36)56-50(37)39/h2-3,6-7,9,12,14,16-20,22,25-29,31,33,42H,4-5,8,10-11,13,15,21,23-24,30H2,1H3
InChIKeyFGVZAAQMEHKNHP-UHFFFAOYSA-N
MW747.02 g/mol
LogP12.94
Rot. Bonds3

About 9-cyclohexa-1,3-dien-1-yl-3-[9-[4-(6,7-dihydrodibenzothiophen-4-yl)-6,7,8,8a-tetrahydroquinazolin-2-yl]-5-methyl-3,4,5,6,7,8-hexahydrocarbazol-3-yl]carbazole

9-cyclohexa-1,3-dien-1-yl-3-[9-[4-(6,7-dihydrodibenzothiophen-4-yl)-6,7,8,8a-tetrahydroquinazolin-2-yl]-5-methyl-3,4,5,6,7,8-hexahydrocarbazol-3-yl]carbazole (PubChem CID 163548212) has the molecular formula C51H46N4S and a molecular weight of 747.02 g/mol. Its IUPAC name is 9-cyclohexa-1,3-dien-1-yl-3-[9-[4-(6,7-dihydrodibenzothiophen-4-yl)-6,7,8,8a-tetrahydroquinazolin-2-yl]-5-methyl-3,4,5,6,7,8-hexahydrocarbazol-3-yl]carbazole.

Molecular Properties

Compound Name9-cyclohexa-1,3-dien-1-yl-3-[9-[4-(6,7-dihydrodibenzothiophen-4-yl)-6,7,8,8a-tetrahydroquinazolin-2-yl]-5-methyl-3,4,5,6,7,8-hexahydrocarbazol-3-yl]carbazole
PubChem CID163548212
Molecular FormulaC51H46N4S
Molecular Weight747.02 g/mol
Exact Mass746.34
IUPAC Name9-cyclohexa-1,3-dien-1-yl-3-[9-[4-(6,7-dihydrodibenzothiophen-4-yl)-6,7,8,8a-tetrahydroquinazolin-2-yl]-5-methyl-3,4,5,6,7,8-hexahydrocarbazol-3-yl]carbazole
SMILESCC1CCCc2c1c1c(n2C2=NC3CCCC=C3C(c3cccc4c5c(sc34)CCC=C5)=N2)C=CC(c2ccc3c(c2)c2ccccc2n3C2=CC=CCC2)C1
InChIInChI=1S/C51H46N4S/c1-31-13-11-23-46-48(31)41-30-33(32-25-27-44-40(29-32)35-16-6-9-22-43(35)54(44)34-14-3-2-4-15-34)26-28-45(41)55(46)51-52-42-21-8-5-18-38(42)49(53-51)39-20-12-19-37-36-17-7-10-24-47(36)56-50(37)39/h2-3,6-7,9,12,14,16-20,22,25-29,31,33,42H,4-5,8,10-11,13,15,21,23-24,30H2,1H3
InChIKeyFGVZAAQMEHKNHP-UHFFFAOYSA-N
XLogP12.94
TPSA34.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500747.02
LogP ≤ 512.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-cyclohexa-1,3-dien-1-yl-3-[9-[4-(6,7-dihydrodibenzothiophen-4-yl)-6,7,8,8a-tetrahydroquinazolin-2-yl]-5-methyl-3,4,5,6,7,8-hexahydrocarbazol-3-yl]carbazole 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

9-cyclohexa-1,5-dien-1-yl-3-(9-dibenzothiophen-4-yl-3,4-dihydrocarbazol-3-yl)carbazole
CID 166889623
2-[3-(2-cyanophenyl)-5-[3-(9-cyclohexa-1,3-dien-1-yl-3,4,4b,5,6,8a-hexahydrocarbazol-3-yl)carbazol-9-yl]cyclohexa-2,4-dien-1-yl]benzonitrile
CID 155471094
(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)boronic acid
CID 153238097
9-[4-[6-(3-cyclohexa-1,5-dien-1-ylphenyl)-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]-3-(6,7-dihydrodibenzothiophen-4-yl)carbazole
CID 137215423
9-cyclohexa-1,3-dien-1-yl-3-[9-(9,9-dimethyl-1,2,3,4,7,8-hexahydrofluoren-3-yl)-7,8-dihydrocarbazol-3-yl]carbazole
CID 169036980
9-cyclohexa-1,3-dien-1-yl-3-(6-methyldibenzothiophen-3-yl)carbazole
CID 142364398
3-[4-[2-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)-2,3-dihydrocarbazol-9-yl]phenyl]-9-phenylcarbazole
CID 144573357
9-cyclohexa-1,3-dien-1-yl-2-(6'-phenylspiro[1,2,4a,5,6,7,9a,10a-octahydrothioxanthene-9,9'-5,6-dihydrothioxanthene]-2'-yl)-1,2,7,8-tetrahydrocarbazole
CID 139539714
9-cyclohexa-1,3-dien-1-yl-5,6-diphenyl-4-[6-(9-phenyl-3,4-dihydrocarbazol-3-yl)dibenzothiophen-1-yl]indolo[2,3-b]indole
CID 163674129
CID 134171795
CID 134171795
9-cyclohexa-1,3-dien-1-yl-1-[9-(4-phenylphenyl)-7,8-dihydrocarbazol-1-yl]carbazole
CID 169037269
3-[6-(4-cyclohexa-1,3-dien-1-yl-2-phenyl-1,2-dihydropyrimidin-6-yl)cyclohexa-1,5-dien-1-yl]-9-[3-(9-phenyl-4b,8a-dihydrocarbazol-1-yl)phenyl]-3,4-dihydrocarbazole
CID 118123081

Frequently Asked Questions

What is the IUPAC name of 9-cyclohexa-1,3-dien-1-yl-3-[9-[4-(6,7-dihydrodibenzothiophen-4-yl)-6,7,8,8a-tetrahydroquinazolin-2-yl]-5-methyl-3,4,5,6,7,8-hexahydrocarbazol-3-yl]carbazole?
The IUPAC name of 9-cyclohexa-1,3-dien-1-yl-3-[9-[4-(6,7-dihydrodibenzothiophen-4-yl)-6,7,8,8a-tetrahydroquinazolin-2-yl]-5-methyl-3,4,5,6,7,8-hexahydrocarbazol-3-yl]carbazole (CID 163548212) is 9-cyclohexa-1,3-dien-1-yl-3-[9-[4-(6,7-dihydrodibenzothiophen-4-yl)-6,7,8,8a-tetrahydroquinazolin-2-yl]-5-methyl-3,4,5,6,7,8-hexahydrocarbazol-3-yl]carbazole.
What is the SMILES notation for 9-cyclohexa-1,3-dien-1-yl-3-[9-[4-(6,7-dihydrodibenzothiophen-4-yl)-6,7,8,8a-tetrahydroquinazolin-2-yl]-5-methyl-3,4,5,6,7,8-hexahydrocarbazol-3-yl]carbazole?
The canonical SMILES for 9-cyclohexa-1,3-dien-1-yl-3-[9-[4-(6,7-dihydrodibenzothiophen-4-yl)-6,7,8,8a-tetrahydroquinazolin-2-yl]-5-methyl-3,4,5,6,7,8-hexahydrocarbazol-3-yl]carbazole is CC1CCCc2c1c1c(n2C2=NC3CCCC=C3C(c3cccc4c5c(sc34)CCC=C5)=N2)C=CC(c2ccc3c(c2)c2ccccc2n3C2=CC=CCC2)C1.
What is the InChIKey of 9-cyclohexa-1,3-dien-1-yl-3-[9-[4-(6,7-dihydrodibenzothiophen-4-yl)-6,7,8,8a-tetrahydroquinazolin-2-yl]-5-methyl-3,4,5,6,7,8-hexahydrocarbazol-3-yl]carbazole?
The InChIKey is FGVZAAQMEHKNHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H46N4S/c1-31-13-11-23-46-48(31)41-30-33(32-25-27-44-40(29-32)35-16-6-9-22-43(35)54(44)34-14-3-2-4-15-34)26-28-45(41)55(46)51-52-42-21-8-5-18-38(42)49(53-51)39-20-12-19-37-36-17-7-10-24-47(36)56-50(37)39/h2-3,6-7,9,12,14,16-20,22,25-29,31,33,42H,4-5,8,10-11,13,15,21,23-24,30H2,1H3.
What are the key properties of 9-cyclohexa-1,3-dien-1-yl-3-[9-[4-(6,7-dihydrodibenzothiophen-4-yl)-6,7,8,8a-tetrahydroquinazolin-2-yl]-5-methyl-3,4,5,6,7,8-hexahydrocarbazol-3-yl]carbazole?
9-cyclohexa-1,3-dien-1-yl-3-[9-[4-(6,7-dihydrodibenzothiophen-4-yl)-6,7,8,8a-tetrahydroquinazolin-2-yl]-5-methyl-3,4,5,6,7,8-hexahydrocarbazol-3-yl]carbazole has a molecular weight of 747.02 g/mol, XLogP of 12.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclohexa-1,3-dien-1-yl-3-[9-[4-(6,7-dihydrodibenzothiophen-4-yl)-6,7,8,8a-tetrahydroquinazolin-2-yl]-5-methyl-3,4,5,6,7,8-hexahydrocarbazol-3-yl]carbazole is sourced from PubChem (CID 163548212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).