5-[4-dibenzothiophen-2-yl-6-(6,7-dihydrodibenzothiophen-2-yl)-1,3,5-triazin-2-yl]-12-(6-dibenzothiophen-2-yl-2-pyridinyl)indolo[3,2-c]carbazole

C62H36N6S3 — CID 88950431

IUPAC5-[4-dibenzothiophen-2-yl-6-(6,7-dihydrodibenzothiophen-2-yl)-1,3,5-triazin-2-yl]-12-(6-dibenzothiophen-2-yl-2-pyridinyl)indolo[3,2-c]carbazole
SMILESC1=Cc2c(sc3ccc(-c4nc(-c5ccc6sc7ccccc7c6c5)nc(-n5c6ccccc6c6c5ccc5c7ccccc7n(-c7cccc(-c8ccc9sc%10ccccc%10c9c8)n7)c56)n4)cc23)CC1
InChIInChI=1S/C62H36N6S3/c1-6-18-48-38(12-1)42-27-28-50-58(59(42)68(48)57-23-11-17-47(63-57)35-24-29-54-44(32-35)39-13-3-8-20-51(39)69-54)43-16-2-7-19-49(43)67(50)62-65-60(36-25-30-55-45(33-36)40-14-4-9-21-52(40)70-55)64-61(66-62)37-26-31-56-46(34-37)41-15-5-10-22-53(41)71-56/h1-9,11-21,23-34H,10,22H2
InChIKeyLVRVJPZKFIOYSP-UHFFFAOYSA-N
MW961.21 g/mol
LogP17.37
Rot. Bonds5

About 5-[4-dibenzothiophen-2-yl-6-(6,7-dihydrodibenzothiophen-2-yl)-1,3,5-triazin-2-yl]-12-(6-dibenzothiophen-2-yl-2-pyridinyl)indolo[3,2-c]carbazole

5-[4-dibenzothiophen-2-yl-6-(6,7-dihydrodibenzothiophen-2-yl)-1,3,5-triazin-2-yl]-12-(6-dibenzothiophen-2-yl-2-pyridinyl)indolo[3,2-c]carbazole (PubChem CID 88950431) has the molecular formula C62H36N6S3 and a molecular weight of 961.21 g/mol. Its IUPAC name is 5-[4-dibenzothiophen-2-yl-6-(6,7-dihydrodibenzothiophen-2-yl)-1,3,5-triazin-2-yl]-12-(6-dibenzothiophen-2-yl-2-pyridinyl)indolo[3,2-c]carbazole.

Molecular Properties

Compound Name5-[4-dibenzothiophen-2-yl-6-(6,7-dihydrodibenzothiophen-2-yl)-1,3,5-triazin-2-yl]-12-(6-dibenzothiophen-2-yl-2-pyridinyl)indolo[3,2-c]carbazole
PubChem CID88950431
Molecular FormulaC62H36N6S3
Molecular Weight961.21 g/mol
Exact Mass960.22
IUPAC Name5-[4-dibenzothiophen-2-yl-6-(6,7-dihydrodibenzothiophen-2-yl)-1,3,5-triazin-2-yl]-12-(6-dibenzothiophen-2-yl-2-pyridinyl)indolo[3,2-c]carbazole
SMILESC1=Cc2c(sc3ccc(-c4nc(-c5ccc6sc7ccccc7c6c5)nc(-n5c6ccccc6c6c5ccc5c7ccccc7n(-c7cccc(-c8ccc9sc%10ccccc%10c9c8)n7)c56)n4)cc23)CC1
InChIInChI=1S/C62H36N6S3/c1-6-18-48-38(12-1)42-27-28-50-58(59(42)68(48)57-23-11-17-47(63-57)35-24-29-54-44(32-35)39-13-3-8-20-51(39)69-54)43-16-2-7-19-49(43)67(50)62-65-60(36-25-30-55-45(33-36)40-14-4-9-21-52(40)70-55)64-61(66-62)37-26-31-56-46(34-37)41-15-5-10-22-53(41)71-56/h1-9,11-21,23-34H,10,22H2
InChIKeyLVRVJPZKFIOYSP-UHFFFAOYSA-N
XLogP17.37
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500961.21
LogP ≤ 517.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 5-[4-dibenzothiophen-2-yl-6-(6,7-dihydrodibenzothiophen-2-yl)-1,3,5-triazin-2-yl]-12-(6-dibenzothiophen-2-yl-2-pyridinyl)indolo[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-dibenzothiophen-2-yl-6-(6,7-dihydrodibenzothiophen-2-yl)-1,3,5-triazin-2-yl]-12-(6-dibenzothiophen-2-yl-2-pyridinyl)indolo[3,2-c]carbazole?
The IUPAC name of 5-[4-dibenzothiophen-2-yl-6-(6,7-dihydrodibenzothiophen-2-yl)-1,3,5-triazin-2-yl]-12-(6-dibenzothiophen-2-yl-2-pyridinyl)indolo[3,2-c]carbazole (CID 88950431) is 5-[4-dibenzothiophen-2-yl-6-(6,7-dihydrodibenzothiophen-2-yl)-1,3,5-triazin-2-yl]-12-(6-dibenzothiophen-2-yl-2-pyridinyl)indolo[3,2-c]carbazole.
What is the SMILES notation for 5-[4-dibenzothiophen-2-yl-6-(6,7-dihydrodibenzothiophen-2-yl)-1,3,5-triazin-2-yl]-12-(6-dibenzothiophen-2-yl-2-pyridinyl)indolo[3,2-c]carbazole?
The canonical SMILES for 5-[4-dibenzothiophen-2-yl-6-(6,7-dihydrodibenzothiophen-2-yl)-1,3,5-triazin-2-yl]-12-(6-dibenzothiophen-2-yl-2-pyridinyl)indolo[3,2-c]carbazole is C1=Cc2c(sc3ccc(-c4nc(-c5ccc6sc7ccccc7c6c5)nc(-n5c6ccccc6c6c5ccc5c7ccccc7n(-c7cccc(-c8ccc9sc%10ccccc%10c9c8)n7)c56)n4)cc23)CC1.
What is the InChIKey of 5-[4-dibenzothiophen-2-yl-6-(6,7-dihydrodibenzothiophen-2-yl)-1,3,5-triazin-2-yl]-12-(6-dibenzothiophen-2-yl-2-pyridinyl)indolo[3,2-c]carbazole?
The InChIKey is LVRVJPZKFIOYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H36N6S3/c1-6-18-48-38(12-1)42-27-28-50-58(59(42)68(48)57-23-11-17-47(63-57)35-24-29-54-44(32-35)39-13-3-8-20-51(39)69-54)43-16-2-7-19-49(43)67(50)62-65-60(36-25-30-55-45(33-36)40-14-4-9-21-52(40)70-55)64-61(66-62)37-26-31-56-46(34-37)41-15-5-10-22-53(41)71-56/h1-9,11-21,23-34H,10,22H2.
What are the key properties of 5-[4-dibenzothiophen-2-yl-6-(6,7-dihydrodibenzothiophen-2-yl)-1,3,5-triazin-2-yl]-12-(6-dibenzothiophen-2-yl-2-pyridinyl)indolo[3,2-c]carbazole?
5-[4-dibenzothiophen-2-yl-6-(6,7-dihydrodibenzothiophen-2-yl)-1,3,5-triazin-2-yl]-12-(6-dibenzothiophen-2-yl-2-pyridinyl)indolo[3,2-c]carbazole has a molecular weight of 961.21 g/mol, XLogP of 17.37, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-dibenzothiophen-2-yl-6-(6,7-dihydrodibenzothiophen-2-yl)-1,3,5-triazin-2-yl]-12-(6-dibenzothiophen-2-yl-2-pyridinyl)indolo[3,2-c]carbazole is sourced from PubChem (CID 88950431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).