9-(7,8-dipyridin-2-yl-3,4-dihydrodibenzothiophen-2-yl)-3-(2-pyridin-2-ylphenyl)carbazole

C45H30N4S — CID 144738798

IUPAC9-(7,8-dipyridin-2-yl-3,4-dihydrodibenzothiophen-2-yl)-3-(2-pyridin-2-ylphenyl)carbazole
SMILESC1=C(n2c3ccccc3c3cc(-c4ccccc4-c4ccccn4)ccc32)CCc2sc3cc(-c4ccccn4)c(-c4ccccn4)cc3c21
InChIInChI=1S/C45H30N4S/c1-2-12-32(39-14-5-8-22-46-39)31(11-1)29-18-20-43-36(25-29)33-13-3-4-17-42(33)49(43)30-19-21-44-37(26-30)38-27-34(40-15-6-9-23-47-40)35(28-45(38)50-44)41-16-7-10-24-48-41/h1-18,20,22-28H,19,21H2
InChIKeyFHPQVDVZEWYIDK-UHFFFAOYSA-N
MW658.83 g/mol
LogP11.81
Rot. Bonds5

About 9-(7,8-dipyridin-2-yl-3,4-dihydrodibenzothiophen-2-yl)-3-(2-pyridin-2-ylphenyl)carbazole

9-(7,8-dipyridin-2-yl-3,4-dihydrodibenzothiophen-2-yl)-3-(2-pyridin-2-ylphenyl)carbazole (PubChem CID 144738798) has the molecular formula C45H30N4S and a molecular weight of 658.83 g/mol. Its IUPAC name is 9-(7,8-dipyridin-2-yl-3,4-dihydrodibenzothiophen-2-yl)-3-(2-pyridin-2-ylphenyl)carbazole.

Molecular Properties

Compound Name9-(7,8-dipyridin-2-yl-3,4-dihydrodibenzothiophen-2-yl)-3-(2-pyridin-2-ylphenyl)carbazole
PubChem CID144738798
Molecular FormulaC45H30N4S
Molecular Weight658.83 g/mol
Exact Mass658.22
IUPAC Name9-(7,8-dipyridin-2-yl-3,4-dihydrodibenzothiophen-2-yl)-3-(2-pyridin-2-ylphenyl)carbazole
SMILESC1=C(n2c3ccccc3c3cc(-c4ccccc4-c4ccccn4)ccc32)CCc2sc3cc(-c4ccccn4)c(-c4ccccn4)cc3c21
InChIInChI=1S/C45H30N4S/c1-2-12-32(39-14-5-8-22-46-39)31(11-1)29-18-20-43-36(25-29)33-13-3-4-17-42(33)49(43)30-19-21-44-37(26-30)38-27-34(40-15-6-9-23-47-40)35(28-45(38)50-44)41-16-7-10-24-48-41/h1-18,20,22-28H,19,21H2
InChIKeyFHPQVDVZEWYIDK-UHFFFAOYSA-N
XLogP11.81
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500658.83
LogP ≤ 511.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-(8-cyclohexa-2,4-dien-1-yl-6,7-dihydrodibenzothiophen-2-yl)-3,6-bis(2-pyridin-2-ylphenyl)carbazole
CID 144627584
3-(2-pyridin-2-ylphenyl)-9-[7-[3-(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzofuran-3-yl]carbazole
CID 123136164
5-(9-methylcarbazol-3-yl)-8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indole
CID 58370085
5-[3-[3,6-bis(2-pyridin-2-ylphenyl)carbazol-9-yl]phenyl]-8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indole;ethene
CID 144612501
3-(9-phenylcarbazol-3-yl)-9-(4-pyridin-2-ylphenyl)carbazole
CID 118967167
9-(7,8-dipyridin-2-yldibenzofuran-2-yl)-3,6-bis(2-pyridin-2-ylphenyl)carbazole;methanamine;pyridine
CID 144536431
9-[7-(3,4-dihydropyridin-2-yl)-8-pyridin-2-yldibenzothiophen-2-yl]-2-methyl-3-(2-pyridin-2-ylphenyl)-1,2-dihydrocarbazole
CID 163618730
8-(2-pyridin-2-ylphenyl)-5-[6-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]-9H-fluoren-3-yl]pyrido[3,2-b]indole
CID 129259902
6-[9-(2,6-dipyridin-2-yl-4-pyridinyl)carbazol-3-yl]-12-phenyl-3,4-dihydro-[1]benzothiolo[3,2-a]carbazole
CID 167148711
9-phenyl-2-pyridin-2-yl-6-[3-[2-(3-pyridin-2-ylphenyl)phenyl]phenyl]carbazole
CID 140814524
3,6-bis(2-pyridin-2-ylphenyl)-9-[8-[3-(2-pyridin-2-ylphenyl)-9H-fluoren-9-yl]dibenzothiophen-2-yl]carbazole
CID 118069043
3-carbazol-9-yl-9-(3-carbazol-9-yl-5-pyridin-2-ylphenyl)carbazole
CID 155770026

Frequently Asked Questions

What is the IUPAC name of 9-(7,8-dipyridin-2-yl-3,4-dihydrodibenzothiophen-2-yl)-3-(2-pyridin-2-ylphenyl)carbazole?
The IUPAC name of 9-(7,8-dipyridin-2-yl-3,4-dihydrodibenzothiophen-2-yl)-3-(2-pyridin-2-ylphenyl)carbazole (CID 144738798) is 9-(7,8-dipyridin-2-yl-3,4-dihydrodibenzothiophen-2-yl)-3-(2-pyridin-2-ylphenyl)carbazole.
What is the SMILES notation for 9-(7,8-dipyridin-2-yl-3,4-dihydrodibenzothiophen-2-yl)-3-(2-pyridin-2-ylphenyl)carbazole?
The canonical SMILES for 9-(7,8-dipyridin-2-yl-3,4-dihydrodibenzothiophen-2-yl)-3-(2-pyridin-2-ylphenyl)carbazole is C1=C(n2c3ccccc3c3cc(-c4ccccc4-c4ccccn4)ccc32)CCc2sc3cc(-c4ccccn4)c(-c4ccccn4)cc3c21.
What is the InChIKey of 9-(7,8-dipyridin-2-yl-3,4-dihydrodibenzothiophen-2-yl)-3-(2-pyridin-2-ylphenyl)carbazole?
The InChIKey is FHPQVDVZEWYIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30N4S/c1-2-12-32(39-14-5-8-22-46-39)31(11-1)29-18-20-43-36(25-29)33-13-3-4-17-42(33)49(43)30-19-21-44-37(26-30)38-27-34(40-15-6-9-23-47-40)35(28-45(38)50-44)41-16-7-10-24-48-41/h1-18,20,22-28H,19,21H2.
What are the key properties of 9-(7,8-dipyridin-2-yl-3,4-dihydrodibenzothiophen-2-yl)-3-(2-pyridin-2-ylphenyl)carbazole?
9-(7,8-dipyridin-2-yl-3,4-dihydrodibenzothiophen-2-yl)-3-(2-pyridin-2-ylphenyl)carbazole has a molecular weight of 658.83 g/mol, XLogP of 11.81, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(7,8-dipyridin-2-yl-3,4-dihydrodibenzothiophen-2-yl)-3-(2-pyridin-2-ylphenyl)carbazole is sourced from PubChem (CID 144738798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).