5-[4-(7a,7b,11a,12a-tetrahydro-[1]benzothiolo[3,2-c]carbazol-5-yl)-6-quinolin-3-yl-1,3,5-triazin-2-yl]-3,4-dihydro-[1]benzothiolo[3,2-c]carbazole

C48H32N6S2 — CID 66585214

IUPAC5-[4-(7a,7b,11a,12a-tetrahydro-[1]benzothiolo[3,2-c]carbazol-5-yl)-6-quinolin-3-yl-1,3,5-triazin-2-yl]-3,4-dihydro-[1]benzothiolo[3,2-c]carbazole
SMILESC1=CC2SC3c4c(n(-c5nc(-c6cnc7ccccc7c6)nc(-n6c7c(c8c9sc%10ccccc%10c9ccc86)C=CCC7)n5)c5ccccc45)C=CC3C2C=C1
InChIInChI=1S/C48H32N6S2/c1-6-16-35-27(11-1)25-28(26-49-35)46-50-47(53-36-17-7-2-14-33(36)42-38(53)23-21-31-29-12-4-9-19-40(29)55-44(31)42)52-48(51-46)54-37-18-8-3-15-34(37)43-39(54)24-22-32-30-13-5-10-20-41(30)56-45(32)43/h1-7,9-17,19-26,29,31,40,44H,8,18H2
InChIKeyPPGCPFUAZHOSGR-UHFFFAOYSA-N
MW756.96 g/mol
LogP11.84
Rot. Bonds3

About 5-[4-(7a,7b,11a,12a-tetrahydro-[1]benzothiolo[3,2-c]carbazol-5-yl)-6-quinolin-3-yl-1,3,5-triazin-2-yl]-3,4-dihydro-[1]benzothiolo[3,2-c]carbazole

5-[4-(7a,7b,11a,12a-tetrahydro-[1]benzothiolo[3,2-c]carbazol-5-yl)-6-quinolin-3-yl-1,3,5-triazin-2-yl]-3,4-dihydro-[1]benzothiolo[3,2-c]carbazole (PubChem CID 66585214) has the molecular formula C48H32N6S2 and a molecular weight of 756.96 g/mol. Its IUPAC name is 5-[4-(7a,7b,11a,12a-tetrahydro-[1]benzothiolo[3,2-c]carbazol-5-yl)-6-quinolin-3-yl-1,3,5-triazin-2-yl]-3,4-dihydro-[1]benzothiolo[3,2-c]carbazole.

Molecular Properties

Compound Name5-[4-(7a,7b,11a,12a-tetrahydro-[1]benzothiolo[3,2-c]carbazol-5-yl)-6-quinolin-3-yl-1,3,5-triazin-2-yl]-3,4-dihydro-[1]benzothiolo[3,2-c]carbazole
PubChem CID66585214
Molecular FormulaC48H32N6S2
Molecular Weight756.96 g/mol
Exact Mass756.21
IUPAC Name5-[4-(7a,7b,11a,12a-tetrahydro-[1]benzothiolo[3,2-c]carbazol-5-yl)-6-quinolin-3-yl-1,3,5-triazin-2-yl]-3,4-dihydro-[1]benzothiolo[3,2-c]carbazole
SMILESC1=CC2SC3c4c(n(-c5nc(-c6cnc7ccccc7c6)nc(-n6c7c(c8c9sc%10ccccc%10c9ccc86)C=CCC7)n5)c5ccccc45)C=CC3C2C=C1
InChIInChI=1S/C48H32N6S2/c1-6-16-35-27(11-1)25-28(26-49-35)46-50-47(53-36-17-7-2-14-33(36)42-38(53)23-21-31-29-12-4-9-19-40(29)55-44(31)42)52-48(51-46)54-37-18-8-3-15-34(37)43-39(54)24-22-32-30-13-5-10-20-41(30)56-45(32)43/h1-7,9-17,19-26,29,31,40,44H,8,18H2
InChIKeyPPGCPFUAZHOSGR-UHFFFAOYSA-N
XLogP11.84
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500756.96
LogP ≤ 511.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[4-(7a,7b,11a,12a-tetrahydro-[1]benzothiolo[3,2-c]carbazol-5-yl)-6-quinolin-3-yl-1,3,5-triazin-2-yl]-3,4-dihydro-[1]benzothiolo[3,2-c]carbazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[4-(7a,7b,11a,12a-tetrahydro-[1]benzothiolo[3,2-c]carbazol-5-yl)-6-quinolin-3-yl-1,3,5-triazin-2-yl]-3,4-dihydro-[1]benzothiolo[3,2-c]carbazole?
The IUPAC name of 5-[4-(7a,7b,11a,12a-tetrahydro-[1]benzothiolo[3,2-c]carbazol-5-yl)-6-quinolin-3-yl-1,3,5-triazin-2-yl]-3,4-dihydro-[1]benzothiolo[3,2-c]carbazole (CID 66585214) is 5-[4-(7a,7b,11a,12a-tetrahydro-[1]benzothiolo[3,2-c]carbazol-5-yl)-6-quinolin-3-yl-1,3,5-triazin-2-yl]-3,4-dihydro-[1]benzothiolo[3,2-c]carbazole.
What is the SMILES notation for 5-[4-(7a,7b,11a,12a-tetrahydro-[1]benzothiolo[3,2-c]carbazol-5-yl)-6-quinolin-3-yl-1,3,5-triazin-2-yl]-3,4-dihydro-[1]benzothiolo[3,2-c]carbazole?
The canonical SMILES for 5-[4-(7a,7b,11a,12a-tetrahydro-[1]benzothiolo[3,2-c]carbazol-5-yl)-6-quinolin-3-yl-1,3,5-triazin-2-yl]-3,4-dihydro-[1]benzothiolo[3,2-c]carbazole is C1=CC2SC3c4c(n(-c5nc(-c6cnc7ccccc7c6)nc(-n6c7c(c8c9sc%10ccccc%10c9ccc86)C=CCC7)n5)c5ccccc45)C=CC3C2C=C1.
What is the InChIKey of 5-[4-(7a,7b,11a,12a-tetrahydro-[1]benzothiolo[3,2-c]carbazol-5-yl)-6-quinolin-3-yl-1,3,5-triazin-2-yl]-3,4-dihydro-[1]benzothiolo[3,2-c]carbazole?
The InChIKey is PPGCPFUAZHOSGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N6S2/c1-6-16-35-27(11-1)25-28(26-49-35)46-50-47(53-36-17-7-2-14-33(36)42-38(53)23-21-31-29-12-4-9-19-40(29)55-44(31)42)52-48(51-46)54-37-18-8-3-15-34(37)43-39(54)24-22-32-30-13-5-10-20-41(30)56-45(32)43/h1-7,9-17,19-26,29,31,40,44H,8,18H2.
What are the key properties of 5-[4-(7a,7b,11a,12a-tetrahydro-[1]benzothiolo[3,2-c]carbazol-5-yl)-6-quinolin-3-yl-1,3,5-triazin-2-yl]-3,4-dihydro-[1]benzothiolo[3,2-c]carbazole?
5-[4-(7a,7b,11a,12a-tetrahydro-[1]benzothiolo[3,2-c]carbazol-5-yl)-6-quinolin-3-yl-1,3,5-triazin-2-yl]-3,4-dihydro-[1]benzothiolo[3,2-c]carbazole has a molecular weight of 756.96 g/mol, XLogP of 11.84, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(7a,7b,11a,12a-tetrahydro-[1]benzothiolo[3,2-c]carbazol-5-yl)-6-quinolin-3-yl-1,3,5-triazin-2-yl]-3,4-dihydro-[1]benzothiolo[3,2-c]carbazole is sourced from PubChem (CID 66585214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).