2-(4-carbazol-9-ylphenyl)-8-phenyl-[1]benzothiolo[2,3-g][1,3]benzothiazole

C37H22N2S2 — CID 167453490

IUPAC2-(4-carbazol-9-ylphenyl)-8-phenyl-[1]benzothiolo[2,3-g][1,3]benzothiazole
SMILESc1ccc(-c2ccc3c(c2)sc2ccc4nc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)sc4c23)cc1
InChIInChI=1S/C37H22N2S2/c1-2-8-23(9-3-1)25-16-19-29-34(22-25)40-33-21-20-30-36(35(29)33)41-37(38-30)24-14-17-26(18-15-24)39-31-12-6-4-10-27(31)28-11-5-7-13-32(28)39/h1-22H
InChIKeyOIESOVWFVOSHNZ-UHFFFAOYSA-N
MW558.73 g/mol
LogP11.10
Rot. Bonds3

About 2-(4-carbazol-9-ylphenyl)-8-phenyl-[1]benzothiolo[2,3-g][1,3]benzothiazole

2-(4-carbazol-9-ylphenyl)-8-phenyl-[1]benzothiolo[2,3-g][1,3]benzothiazole (PubChem CID 167453490) has the molecular formula C37H22N2S2 and a molecular weight of 558.73 g/mol. Its IUPAC name is 2-(4-carbazol-9-ylphenyl)-8-phenyl-[1]benzothiolo[2,3-g][1,3]benzothiazole.

Molecular Properties

Compound Name2-(4-carbazol-9-ylphenyl)-8-phenyl-[1]benzothiolo[2,3-g][1,3]benzothiazole
PubChem CID167453490
Molecular FormulaC37H22N2S2
Molecular Weight558.73 g/mol
Exact Mass558.12
IUPAC Name2-(4-carbazol-9-ylphenyl)-8-phenyl-[1]benzothiolo[2,3-g][1,3]benzothiazole
SMILESc1ccc(-c2ccc3c(c2)sc2ccc4nc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)sc4c23)cc1
InChIInChI=1S/C37H22N2S2/c1-2-8-23(9-3-1)25-16-19-29-34(22-25)40-33-21-20-30-36(35(29)33)41-37(38-30)24-14-17-26(18-15-24)39-31-12-6-4-10-27(31)28-11-5-7-13-32(28)39/h1-22H
InChIKeyOIESOVWFVOSHNZ-UHFFFAOYSA-N
XLogP11.10
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.73
LogP ≤ 511.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-8-phenyl-[1]benzothiolo[2,3-g][1,3]benzothiazole
CID 167453330
2-(4-carbazol-9-ylphenyl)-8-phenyl-[1]benzothiolo[2,3-g][1,3]benzoxazole
CID 167453685
6-[4-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-2-(4-phenylphenyl)-1,3-benzothiazole
CID 145306641
N-phenyl-N-[4-(2-phenyl-[1]benzothiolo[2,3-g][1,3]benzothiazol-8-yl)phenyl]-3-(4-phenylphenyl)aniline
CID 171411412
2-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]-[1]benzothiolo[3,2-e][1,3]benzothiazole
CID 167454010
N-[4-(2-phenyl-[1]benzothiolo[2,3-g][1,3]benzothiazol-8-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 171411658
N-phenyl-N-[4-(2-phenyl-[1]benzothiolo[2,3-g][1,3]benzothiazol-8-yl)phenyl]naphthalen-2-amine
CID 171411508
9-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]phenyl]-2-phenylcarbazole
CID 154624436
N-phenyl-N-[4-(2-phenyl-[1]benzothiolo[2,3-g][1,3]benzothiazol-9-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 171412021
3-phenyl-9-(7-phenyldibenzothiophen-3-yl)carbazole
CID 170279316
2-phenyl-N,N-bis(4-phenylphenyl)-[1]benzothiolo[2,3-g][1,3]benzothiazol-9-amine
CID 171411837
2-phenyl-6-[4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]-1,3-benzothiazole
CID 129122301

Frequently Asked Questions

What is the IUPAC name of 2-(4-carbazol-9-ylphenyl)-8-phenyl-[1]benzothiolo[2,3-g][1,3]benzothiazole?
The IUPAC name of 2-(4-carbazol-9-ylphenyl)-8-phenyl-[1]benzothiolo[2,3-g][1,3]benzothiazole (CID 167453490) is 2-(4-carbazol-9-ylphenyl)-8-phenyl-[1]benzothiolo[2,3-g][1,3]benzothiazole.
What is the SMILES notation for 2-(4-carbazol-9-ylphenyl)-8-phenyl-[1]benzothiolo[2,3-g][1,3]benzothiazole?
The canonical SMILES for 2-(4-carbazol-9-ylphenyl)-8-phenyl-[1]benzothiolo[2,3-g][1,3]benzothiazole is c1ccc(-c2ccc3c(c2)sc2ccc4nc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)sc4c23)cc1.
What is the InChIKey of 2-(4-carbazol-9-ylphenyl)-8-phenyl-[1]benzothiolo[2,3-g][1,3]benzothiazole?
The InChIKey is OIESOVWFVOSHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H22N2S2/c1-2-8-23(9-3-1)25-16-19-29-34(22-25)40-33-21-20-30-36(35(29)33)41-37(38-30)24-14-17-26(18-15-24)39-31-12-6-4-10-27(31)28-11-5-7-13-32(28)39/h1-22H.
What are the key properties of 2-(4-carbazol-9-ylphenyl)-8-phenyl-[1]benzothiolo[2,3-g][1,3]benzothiazole?
2-(4-carbazol-9-ylphenyl)-8-phenyl-[1]benzothiolo[2,3-g][1,3]benzothiazole has a molecular weight of 558.73 g/mol, XLogP of 11.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carbazol-9-ylphenyl)-8-phenyl-[1]benzothiolo[2,3-g][1,3]benzothiazole is sourced from PubChem (CID 167453490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).