11-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-[1]benzothiolo[3,2-b]carbazole

C41H26N2S — CID 118502936

IUPAC11-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-[1]benzothiolo[3,2-b]carbazole
SMILESc1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5cc6sc7ccccc7c6cc54)cc3)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C41H26N2S/c1-3-11-28(12-4-1)36-23-30(24-37(42-36)29-13-5-2-6-14-29)27-19-21-31(22-20-27)43-38-17-9-7-15-32(38)34-26-41-35(25-39(34)43)33-16-8-10-18-40(33)44-41/h1-26H
InChIKeyQDZDFMDUPPSORY-UHFFFAOYSA-N
MW578.74 g/mol
LogP11.55
Rot. Bonds4

About 11-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-[1]benzothiolo[3,2-b]carbazole

11-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-[1]benzothiolo[3,2-b]carbazole (PubChem CID 118502936) has the molecular formula C41H26N2S and a molecular weight of 578.74 g/mol. Its IUPAC name is 11-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-[1]benzothiolo[3,2-b]carbazole.

Molecular Properties

Compound Name11-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-[1]benzothiolo[3,2-b]carbazole
PubChem CID118502936
Molecular FormulaC41H26N2S
Molecular Weight578.74 g/mol
Exact Mass578.18
IUPAC Name11-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-[1]benzothiolo[3,2-b]carbazole
SMILESc1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5cc6sc7ccccc7c6cc54)cc3)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C41H26N2S/c1-3-11-28(12-4-1)36-23-30(24-37(42-36)29-13-5-2-6-14-29)27-19-21-31(22-20-27)43-38-17-9-7-15-32(38)34-26-41-35(25-39(34)43)33-16-8-10-18-40(33)44-41/h1-26H
InChIKeyQDZDFMDUPPSORY-UHFFFAOYSA-N
XLogP11.55
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.74
LogP ≤ 511.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

11-[4-(3-carbazol-9-yl-5-phenylphenyl)phenyl]-[1]benzothiolo[3,2-b]carbazole
CID 167193260
11-[5-(2,6-diphenyl-4-pyridinyl)-2-pyridinyl]-[1]benzothiolo[3,2-b]carbazole
CID 118502886
16-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-10-thia-16-azahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1(24),2,4,6,8,11,13,15(23),17,19,21-undecaene
CID 122466104
8-[8-[5-(4,6-diphenylpyrimidin-2-yl)-11-phenylindolo[3,2-b]carbazol-2-yl]dibenzothiophen-2-yl]-11-phenyl-[1]benzothiolo[3,2-b]carbazole
CID 118503299
7-[4-[2,6-bis[4-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]pyrimidin-4-yl]phenyl]-[1]benzothiolo[2,3-b]carbazole
CID 144919691
11-[3-([1]benzothiolo[3,2-b]carbazol-11-yl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-b]carbazole;11-[3,5-bis(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-b]carbazole
CID 161105091
8-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-11-phenyl-[1]benzothiolo[3,2-b]carbazole
CID 67700869
7-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole
CID 167193393
5-(4,6-diphenylpyrimidin-2-yl)-25-phenyl-15-thia-5,25-diazaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2,4(12),6,8,10,13,16,18(26),19,21,23-dodecaene
CID 118301344
11-(4-dibenzothiophen-3-yl-6-phenylpyrimidin-2-yl)-5-phenylindolo[3,2-b]carbazole
CID 118154634
3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(4,6-diphenyl-2-pyridinyl)carbazole
CID 118014177
7-phenyl-5-[4-[4-phenyl-6-(4-phenylphenyl)-2-pyridinyl]phenyl]indolo[2,3-b]carbazole
CID 155240607

Frequently Asked Questions

What is the IUPAC name of 11-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-[1]benzothiolo[3,2-b]carbazole?
The IUPAC name of 11-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-[1]benzothiolo[3,2-b]carbazole (CID 118502936) is 11-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-[1]benzothiolo[3,2-b]carbazole.
What is the SMILES notation for 11-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-[1]benzothiolo[3,2-b]carbazole?
The canonical SMILES for 11-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-[1]benzothiolo[3,2-b]carbazole is c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5cc6sc7ccccc7c6cc54)cc3)cc(-c3ccccc3)n2)cc1.
What is the InChIKey of 11-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-[1]benzothiolo[3,2-b]carbazole?
The InChIKey is QDZDFMDUPPSORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H26N2S/c1-3-11-28(12-4-1)36-23-30(24-37(42-36)29-13-5-2-6-14-29)27-19-21-31(22-20-27)43-38-17-9-7-15-32(38)34-26-41-35(25-39(34)43)33-16-8-10-18-40(33)44-41/h1-26H.
What are the key properties of 11-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-[1]benzothiolo[3,2-b]carbazole?
11-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-[1]benzothiolo[3,2-b]carbazole has a molecular weight of 578.74 g/mol, XLogP of 11.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-[1]benzothiolo[3,2-b]carbazole is sourced from PubChem (CID 118502936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).