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

C37H22N2OS — CID 167453685

IUPAC2-(4-carbazol-9-ylphenyl)-8-phenyl-[1]benzothiolo[2,3-g][1,3]benzoxazole
SMILESc1ccc(-c2ccc3c(c2)sc2ccc4nc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)oc4c23)cc1
InChIInChI=1S/C37H22N2OS/c1-2-8-23(9-3-1)25-16-19-29-34(22-25)41-33-21-20-30-36(35(29)33)40-37(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
InChIKeyGGLAIVXUFIAKMA-UHFFFAOYSA-N
MW542.66 g/mol
LogP10.63
Rot. Bonds3

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

2-(4-carbazol-9-ylphenyl)-8-phenyl-[1]benzothiolo[2,3-g][1,3]benzoxazole (PubChem CID 167453685) has the molecular formula C37H22N2OS and a molecular weight of 542.66 g/mol. Its IUPAC name is 2-(4-carbazol-9-ylphenyl)-8-phenyl-[1]benzothiolo[2,3-g][1,3]benzoxazole.

Molecular Properties

Compound Name2-(4-carbazol-9-ylphenyl)-8-phenyl-[1]benzothiolo[2,3-g][1,3]benzoxazole
PubChem CID167453685
Molecular FormulaC37H22N2OS
Molecular Weight542.66 g/mol
Exact Mass542.15
IUPAC Name2-(4-carbazol-9-ylphenyl)-8-phenyl-[1]benzothiolo[2,3-g][1,3]benzoxazole
SMILESc1ccc(-c2ccc3c(c2)sc2ccc4nc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)oc4c23)cc1
InChIInChI=1S/C37H22N2OS/c1-2-8-23(9-3-1)25-16-19-29-34(22-25)41-33-21-20-30-36(35(29)33)40-37(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
InChIKeyGGLAIVXUFIAKMA-UHFFFAOYSA-N
XLogP10.63
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.66
LogP ≤ 510.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(9-phenylcarbazol-3-yl)phenyl]-[1]benzothiolo[2,3-g][1,3]benzoxazole
CID 167453652
17-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenyl-4-oxa-14-thia-6-azapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),5,8,11,15(20),16,18-nonaene
CID 176647247
2-(4-carbazol-9-ylphenyl)-8-phenyl-[1]benzothiolo[2,3-g][1,3]benzothiazole
CID 167453490
2-phenyl-8-[4-phenyl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzothiolo[2,3-g][1,3]benzoxazole
CID 171411419
2-(4-carbazol-9-ylphenyl)-6-phenyl-1,3-benzoxazole
CID 59228217
18-[4-(3-carbazol-9-ylphenyl)-6-naphthalen-1-yl-1,3,5-triazin-2-yl]-5-phenyl-4-oxa-11-thia-6-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),5,8,13,15(20),16,18-nonaene
CID 177085695
8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-2-phenyl-[1]benzothiolo[2,3-g][1,3]benzoxazole
CID 171411715
2-[4-(4-carbazol-9-ylphenyl)phenyl]-6-(3-phenylphenyl)-1,3-benzoxazole
CID 137473397
2-phenyl-8-[4-phenyl-6-(3-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzothiolo[2,3-g][1,3]benzoxazole
CID 171411340
2-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-8-phenyl-[1]benzothiolo[2,3-g][1,3]benzothiazole
CID 167453330
2-[4-(9-phenylcarbazol-3-yl)phenyl]-[1]benzofuro[2,3-g][1,3]benzoxazole
CID 167452861
9-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]phenyl]-2-phenylcarbazole
CID 154624436

Frequently Asked Questions

What is the IUPAC name of 2-(4-carbazol-9-ylphenyl)-8-phenyl-[1]benzothiolo[2,3-g][1,3]benzoxazole?
The IUPAC name of 2-(4-carbazol-9-ylphenyl)-8-phenyl-[1]benzothiolo[2,3-g][1,3]benzoxazole (CID 167453685) is 2-(4-carbazol-9-ylphenyl)-8-phenyl-[1]benzothiolo[2,3-g][1,3]benzoxazole.
What is the SMILES notation for 2-(4-carbazol-9-ylphenyl)-8-phenyl-[1]benzothiolo[2,3-g][1,3]benzoxazole?
The canonical SMILES for 2-(4-carbazol-9-ylphenyl)-8-phenyl-[1]benzothiolo[2,3-g][1,3]benzoxazole is c1ccc(-c2ccc3c(c2)sc2ccc4nc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)oc4c23)cc1.
What is the InChIKey of 2-(4-carbazol-9-ylphenyl)-8-phenyl-[1]benzothiolo[2,3-g][1,3]benzoxazole?
The InChIKey is GGLAIVXUFIAKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H22N2OS/c1-2-8-23(9-3-1)25-16-19-29-34(22-25)41-33-21-20-30-36(35(29)33)40-37(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]benzoxazole?
2-(4-carbazol-9-ylphenyl)-8-phenyl-[1]benzothiolo[2,3-g][1,3]benzoxazole has a molecular weight of 542.66 g/mol, XLogP of 10.63, 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]benzoxazole is sourced from PubChem (CID 167453685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).