12-[3-phenyl-5-(3-phenylphenyl)phenyl]-[1]benzothiolo[2,3-a]carbazole

C42H27NS — CID 118502961

IUPAC12-[3-phenyl-5-(3-phenylphenyl)phenyl]-[1]benzothiolo[2,3-a]carbazole
SMILESc1ccc(-c2cccc(-c3cc(-c4ccccc4)cc(-n4c5ccccc5c5ccc6c7ccccc7sc6c54)c3)c2)cc1
InChIInChI=1S/C42H27NS/c1-3-12-28(13-4-1)30-16-11-17-31(24-30)33-25-32(29-14-5-2-6-15-29)26-34(27-33)43-39-20-9-7-18-35(39)37-22-23-38-36-19-8-10-21-40(36)44-42(38)41(37)43/h1-27H
InChIKeyFYZOIJJISUOIGM-UHFFFAOYSA-N
MW577.75 g/mol
LogP12.15
Rot. Bonds4

About 12-[3-phenyl-5-(3-phenylphenyl)phenyl]-[1]benzothiolo[2,3-a]carbazole

12-[3-phenyl-5-(3-phenylphenyl)phenyl]-[1]benzothiolo[2,3-a]carbazole (PubChem CID 118502961) has the molecular formula C42H27NS and a molecular weight of 577.75 g/mol. Its IUPAC name is 12-[3-phenyl-5-(3-phenylphenyl)phenyl]-[1]benzothiolo[2,3-a]carbazole.

Molecular Properties

Compound Name12-[3-phenyl-5-(3-phenylphenyl)phenyl]-[1]benzothiolo[2,3-a]carbazole
PubChem CID118502961
Molecular FormulaC42H27NS
Molecular Weight577.75 g/mol
Exact Mass577.19
IUPAC Name12-[3-phenyl-5-(3-phenylphenyl)phenyl]-[1]benzothiolo[2,3-a]carbazole
SMILESc1ccc(-c2cccc(-c3cc(-c4ccccc4)cc(-n4c5ccccc5c5ccc6c7ccccc7sc6c54)c3)c2)cc1
InChIInChI=1S/C42H27NS/c1-3-12-28(13-4-1)30-16-11-17-31(24-30)33-25-32(29-14-5-2-6-15-29)26-34(27-33)43-39-20-9-7-18-35(39)37-22-23-38-36-19-8-10-21-40(36)44-42(38)41(37)43/h1-27H
InChIKeyFYZOIJJISUOIGM-UHFFFAOYSA-N
XLogP12.15
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.75
LogP ≤ 512.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

15-phenyl-11-[3-(4-phenylphenyl)phenyl]-18-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;15-phenyl-11-[4-(3-phenylphenyl)phenyl]-18-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene
CID 161459940
12-[3-[4,6-di(dibenzothiophen-3-yl)-1,3,5-triazin-2-yl]-5-phenylphenyl]-[1]benzothiolo[2,3-a]carbazole
CID 154946566
12-[3-dibenzothiophen-4-yl-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-a]carbazole
CID 154946479
12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-2-phenyl-[1]benzothiolo[2,3-a]carbazole
CID 154946496
12-dibenzothiophen-4-yl-5-(3,5-diphenylphenyl)indolo[3,2-c]carbazole
CID 171414814
12-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-[1]benzothiolo[2,3-a]carbazole
CID 90050986
12-(3-carbazol-9-ylphenyl)-[1]benzothiolo[2,3-a]carbazole
CID 118503017
12-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-11-(3,5-diphenylphenyl)indolo[2,3-a]carbazole
CID 165165508
9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole;9-[3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]carbazole;9-[3-[3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]phenyl]carbazole;9-[3-[3-dibenzothiophen-4-yl-5-(3-phenylphenyl)phenyl]phenyl]carbazole
CID 158652173
2-[3-dibenzothiophen-4-yl-5-(3-phenylphenyl)phenyl]-9-(3-phenylphenyl)carbazole
CID 122492279
2-[3-dibenzothiophen-4-yl-5-(3-phenylphenyl)phenyl]-9-[3-(3-phenylphenyl)phenyl]carbazole
CID 122492281
12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenyl-[1]benzothiolo[2,3-a]carbazole
CID 126580350

Frequently Asked Questions

What is the IUPAC name of 12-[3-phenyl-5-(3-phenylphenyl)phenyl]-[1]benzothiolo[2,3-a]carbazole?
The IUPAC name of 12-[3-phenyl-5-(3-phenylphenyl)phenyl]-[1]benzothiolo[2,3-a]carbazole (CID 118502961) is 12-[3-phenyl-5-(3-phenylphenyl)phenyl]-[1]benzothiolo[2,3-a]carbazole.
What is the SMILES notation for 12-[3-phenyl-5-(3-phenylphenyl)phenyl]-[1]benzothiolo[2,3-a]carbazole?
The canonical SMILES for 12-[3-phenyl-5-(3-phenylphenyl)phenyl]-[1]benzothiolo[2,3-a]carbazole is c1ccc(-c2cccc(-c3cc(-c4ccccc4)cc(-n4c5ccccc5c5ccc6c7ccccc7sc6c54)c3)c2)cc1.
What is the InChIKey of 12-[3-phenyl-5-(3-phenylphenyl)phenyl]-[1]benzothiolo[2,3-a]carbazole?
The InChIKey is FYZOIJJISUOIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27NS/c1-3-12-28(13-4-1)30-16-11-17-31(24-30)33-25-32(29-14-5-2-6-15-29)26-34(27-33)43-39-20-9-7-18-35(39)37-22-23-38-36-19-8-10-21-40(36)44-42(38)41(37)43/h1-27H.
What are the key properties of 12-[3-phenyl-5-(3-phenylphenyl)phenyl]-[1]benzothiolo[2,3-a]carbazole?
12-[3-phenyl-5-(3-phenylphenyl)phenyl]-[1]benzothiolo[2,3-a]carbazole has a molecular weight of 577.75 g/mol, XLogP of 12.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[3-phenyl-5-(3-phenylphenyl)phenyl]-[1]benzothiolo[2,3-a]carbazole is sourced from PubChem (CID 118502961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).