6-[6-[6-(6-dibenzothiophen-4-yl-6-methyl-7H-dibenzothiophen-4-yl)-2-pyridinyl]-2-pyridinyl]-3-methyl-9-pyridin-2-yl-3,4-dihydrocarbazole

C53H38N4S2 — CID 163651342

IUPAC6-[6-[6-(6-dibenzothiophen-4-yl-6-methyl-7H-dibenzothiophen-4-yl)-2-pyridinyl]-2-pyridinyl]-3-methyl-9-pyridin-2-yl-3,4-dihydrocarbazole
SMILESCC1C=Cc2c(c3cc(-c4cccc(-c5cccc(-c6cccc7c8c(sc67)C(C)(c6cccc7c6sc6ccccc67)CC=C8)n5)n4)ccc3n2-c2ccccn2)C1
InChIInChI=1S/C53H38N4S2/c1-32-24-26-46-39(30-32)40-31-33(25-27-47(40)57(46)49-23-5-6-29-54-49)42-18-9-20-44(55-42)45-21-10-19-43(56-45)38-15-7-13-36-37-16-11-28-53(2,52(37)59-50(36)38)41-17-8-14-35-34-12-3-4-22-48(34)58-51(35)41/h3-27,29,31-32H,28,30H2,1-2H3
InChIKeyIMMZWZSFFYLJKH-UHFFFAOYSA-N
MW795.05 g/mol
LogP14.33
Rot. Bonds5

About 6-[6-[6-(6-dibenzothiophen-4-yl-6-methyl-7H-dibenzothiophen-4-yl)-2-pyridinyl]-2-pyridinyl]-3-methyl-9-pyridin-2-yl-3,4-dihydrocarbazole

6-[6-[6-(6-dibenzothiophen-4-yl-6-methyl-7H-dibenzothiophen-4-yl)-2-pyridinyl]-2-pyridinyl]-3-methyl-9-pyridin-2-yl-3,4-dihydrocarbazole (PubChem CID 163651342) has the molecular formula C53H38N4S2 and a molecular weight of 795.05 g/mol. Its IUPAC name is 6-[6-[6-(6-dibenzothiophen-4-yl-6-methyl-7H-dibenzothiophen-4-yl)-2-pyridinyl]-2-pyridinyl]-3-methyl-9-pyridin-2-yl-3,4-dihydrocarbazole.

Molecular Properties

Compound Name6-[6-[6-(6-dibenzothiophen-4-yl-6-methyl-7H-dibenzothiophen-4-yl)-2-pyridinyl]-2-pyridinyl]-3-methyl-9-pyridin-2-yl-3,4-dihydrocarbazole
PubChem CID163651342
Molecular FormulaC53H38N4S2
Molecular Weight795.05 g/mol
Exact Mass794.25
IUPAC Name6-[6-[6-(6-dibenzothiophen-4-yl-6-methyl-7H-dibenzothiophen-4-yl)-2-pyridinyl]-2-pyridinyl]-3-methyl-9-pyridin-2-yl-3,4-dihydrocarbazole
SMILESCC1C=Cc2c(c3cc(-c4cccc(-c5cccc(-c6cccc7c8c(sc67)C(C)(c6cccc7c6sc6ccccc67)CC=C8)n5)n4)ccc3n2-c2ccccn2)C1
InChIInChI=1S/C53H38N4S2/c1-32-24-26-46-39(30-32)40-31-33(25-27-47(40)57(46)49-23-5-6-29-54-49)42-18-9-20-44(55-42)45-21-10-19-43(56-45)38-15-7-13-36-37-16-11-28-53(2,52(37)59-50(36)38)41-17-8-14-35-34-12-3-4-22-48(34)58-51(35)41/h3-27,29,31-32H,28,30H2,1-2H3
InChIKeyIMMZWZSFFYLJKH-UHFFFAOYSA-N
XLogP14.33
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500795.05
LogP ≤ 514.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[6-[6-(6-dibenzothiophen-4-yl-6-methyl-7H-dibenzothiophen-4-yl)-2-pyridinyl]-2-pyridinyl]-3-methyl-9-pyridin-2-yl-3,4-dihydrocarbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[6-[6-(6-dibenzothiophen-4-yl-6-methyl-7H-dibenzothiophen-4-yl)-2-pyridinyl]-2-pyridinyl]-3-methyl-9-pyridin-2-yl-3,4-dihydrocarbazole?
The IUPAC name of 6-[6-[6-(6-dibenzothiophen-4-yl-6-methyl-7H-dibenzothiophen-4-yl)-2-pyridinyl]-2-pyridinyl]-3-methyl-9-pyridin-2-yl-3,4-dihydrocarbazole (CID 163651342) is 6-[6-[6-(6-dibenzothiophen-4-yl-6-methyl-7H-dibenzothiophen-4-yl)-2-pyridinyl]-2-pyridinyl]-3-methyl-9-pyridin-2-yl-3,4-dihydrocarbazole.
What is the SMILES notation for 6-[6-[6-(6-dibenzothiophen-4-yl-6-methyl-7H-dibenzothiophen-4-yl)-2-pyridinyl]-2-pyridinyl]-3-methyl-9-pyridin-2-yl-3,4-dihydrocarbazole?
The canonical SMILES for 6-[6-[6-(6-dibenzothiophen-4-yl-6-methyl-7H-dibenzothiophen-4-yl)-2-pyridinyl]-2-pyridinyl]-3-methyl-9-pyridin-2-yl-3,4-dihydrocarbazole is CC1C=Cc2c(c3cc(-c4cccc(-c5cccc(-c6cccc7c8c(sc67)C(C)(c6cccc7c6sc6ccccc67)CC=C8)n5)n4)ccc3n2-c2ccccn2)C1.
What is the InChIKey of 6-[6-[6-(6-dibenzothiophen-4-yl-6-methyl-7H-dibenzothiophen-4-yl)-2-pyridinyl]-2-pyridinyl]-3-methyl-9-pyridin-2-yl-3,4-dihydrocarbazole?
The InChIKey is IMMZWZSFFYLJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H38N4S2/c1-32-24-26-46-39(30-32)40-31-33(25-27-47(40)57(46)49-23-5-6-29-54-49)42-18-9-20-44(55-42)45-21-10-19-43(56-45)38-15-7-13-36-37-16-11-28-53(2,52(37)59-50(36)38)41-17-8-14-35-34-12-3-4-22-48(34)58-51(35)41/h3-27,29,31-32H,28,30H2,1-2H3.
What are the key properties of 6-[6-[6-(6-dibenzothiophen-4-yl-6-methyl-7H-dibenzothiophen-4-yl)-2-pyridinyl]-2-pyridinyl]-3-methyl-9-pyridin-2-yl-3,4-dihydrocarbazole?
6-[6-[6-(6-dibenzothiophen-4-yl-6-methyl-7H-dibenzothiophen-4-yl)-2-pyridinyl]-2-pyridinyl]-3-methyl-9-pyridin-2-yl-3,4-dihydrocarbazole has a molecular weight of 795.05 g/mol, XLogP of 14.33, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-[6-(6-dibenzothiophen-4-yl-6-methyl-7H-dibenzothiophen-4-yl)-2-pyridinyl]-2-pyridinyl]-3-methyl-9-pyridin-2-yl-3,4-dihydrocarbazole is sourced from PubChem (CID 163651342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).