1-carbazol-9-yl-6-[3-(4H-carbazol-9-yl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine

C47H28N4S — CID 163693581

IUPAC1-carbazol-9-yl-6-[3-(4H-carbazol-9-yl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine
SMILESC1=CCc2c(n(-c3ccc4c(c3)c3ccccc3n4-c3ccc4sc5c(-n6c7ccccc7c7ccccc76)nccc5c4c3)c3ccccc23)C=1
InChIInChI=1S/C47H28N4S/c1-6-16-39-31(11-1)32-12-2-7-17-40(32)49(39)29-21-23-44-37(27-29)35-15-5-8-18-41(35)50(44)30-22-24-45-38(28-30)36-25-26-48-47(46(36)52-45)51-42-19-9-3-13-33(42)34-14-4-10-20-43(34)51/h1-6,8-11,13-28H,12H2
InChIKeyJVAXWUZMKXFATI-UHFFFAOYSA-N
MW680.84 g/mol
LogP12.31
Rot. Bonds3

About 1-carbazol-9-yl-6-[3-(4H-carbazol-9-yl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine

1-carbazol-9-yl-6-[3-(4H-carbazol-9-yl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine (PubChem CID 163693581) has the molecular formula C47H28N4S and a molecular weight of 680.84 g/mol. Its IUPAC name is 1-carbazol-9-yl-6-[3-(4H-carbazol-9-yl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine.

Molecular Properties

Compound Name1-carbazol-9-yl-6-[3-(4H-carbazol-9-yl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine
PubChem CID163693581
Molecular FormulaC47H28N4S
Molecular Weight680.84 g/mol
Exact Mass680.20
IUPAC Name1-carbazol-9-yl-6-[3-(4H-carbazol-9-yl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine
SMILESC1=CCc2c(n(-c3ccc4c(c3)c3ccccc3n4-c3ccc4sc5c(-n6c7ccccc7c7ccccc76)nccc5c4c3)c3ccccc23)C=1
InChIInChI=1S/C47H28N4S/c1-6-16-39-31(11-1)32-12-2-7-17-40(32)49(39)29-21-23-44-37(27-29)35-15-5-8-18-41(35)50(44)30-22-24-45-38(28-30)36-25-26-48-47(46(36)52-45)51-42-19-9-3-13-33(42)34-14-4-10-20-43(34)51/h1-6,8-11,13-28H,12H2
InChIKeyJVAXWUZMKXFATI-UHFFFAOYSA-N
XLogP12.31
TPSA27.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500680.84
LogP ≤ 512.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3,9-bis(9-phenylcarbazol-3-yl)carbazole;1,6-di(carbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine
CID 159771301
1-(3-carbazol-9-ylcarbazol-9-yl)-6-(3-triphenylen-2-ylphenyl)-[1]benzothiolo[2,3-c]pyridine
CID 59413726
1-[3-(1,2-dihydrocarbazol-9-yl)carbazol-9-yl]-6-triphenylen-2-yl-[1]benzothiolo[2,3-c]pyridine
CID 147700149
7-carbazol-9-yl-9,20-dithia-6-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene
CID 138640758
1-[5-phenyl-2-(6-phenylindolo[2,3-b]indol-5-yl)indolo[2,3-b]indol-6-yl]-[1]benzothiolo[2,3-c]pyridine
CID 146632237
[9-([1]benzothiolo[2,3-c]pyridin-1-yl)carbazol-3-yl]-methoxy-diphenylsilane
CID 155603041
6-(3-carbazol-9-ylcarbazol-9-yl)-1-triphenylen-2-yl-[1]benzothiolo[2,3-c]pyridine;6-(3-carbazol-9-ylcarbazol-9-yl)-1-(3-triphenylen-2-ylphenyl)-[1]benzothiolo[2,3-c]pyridine;6-carbazol-9-yl-1-triphenylen-2-yl-[1]benzothiolo[2,3-c]pyridine
CID 160839103
1-[3-(9-dibenzothiophen-4-ylcarbazol-3-yl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine
CID 58479590
9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazole
CID 59348313
3,8-di(carbazol-9-yl)-12-phenyl-[1]benzothiolo[2,3-a]carbazole
CID 67952823
7-carbazol-9-yl-20-phenyl-9-thia-6,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene
CID 138640766
1,6-di(carbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine;1-(9,10-dinaphthalen-2-ylanthracen-2-yl)-[1]benzothiolo[2,3-c]pyridine;9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 159158381

Frequently Asked Questions

What is the IUPAC name of 1-carbazol-9-yl-6-[3-(4H-carbazol-9-yl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine?
The IUPAC name of 1-carbazol-9-yl-6-[3-(4H-carbazol-9-yl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine (CID 163693581) is 1-carbazol-9-yl-6-[3-(4H-carbazol-9-yl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine.
What is the SMILES notation for 1-carbazol-9-yl-6-[3-(4H-carbazol-9-yl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine?
The canonical SMILES for 1-carbazol-9-yl-6-[3-(4H-carbazol-9-yl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine is C1=CCc2c(n(-c3ccc4c(c3)c3ccccc3n4-c3ccc4sc5c(-n6c7ccccc7c7ccccc76)nccc5c4c3)c3ccccc23)C=1.
What is the InChIKey of 1-carbazol-9-yl-6-[3-(4H-carbazol-9-yl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine?
The InChIKey is JVAXWUZMKXFATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H28N4S/c1-6-16-39-31(11-1)32-12-2-7-17-40(32)49(39)29-21-23-44-37(27-29)35-15-5-8-18-41(35)50(44)30-22-24-45-38(28-30)36-25-26-48-47(46(36)52-45)51-42-19-9-3-13-33(42)34-14-4-10-20-43(34)51/h1-6,8-11,13-28H,12H2.
What are the key properties of 1-carbazol-9-yl-6-[3-(4H-carbazol-9-yl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine?
1-carbazol-9-yl-6-[3-(4H-carbazol-9-yl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine has a molecular weight of 680.84 g/mol, XLogP of 12.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbazol-9-yl-6-[3-(4H-carbazol-9-yl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine is sourced from PubChem (CID 163693581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).