13-([1]benzothiolo[3,2-b]carbazol-11-yl)-15-phenyl-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene

C38H21N3OS — CID 170371391

IUPAC13-([1]benzothiolo[3,2-b]carbazol-11-yl)-15-phenyl-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene
SMILESc1ccc(-c2nc(-n3c4ccccc4c4cc5sc6ccccc6c5cc43)c3oc4ccc5ccccc5c4c3n2)cc1
InChIInChI=1S/C38H21N3OS/c1-2-11-23(12-3-1)37-39-35-34-24-13-5-4-10-22(24)18-19-31(34)42-36(35)38(40-37)41-29-16-8-6-14-25(29)27-21-33-28(20-30(27)41)26-15-7-9-17-32(26)43-33/h1-21H
InChIKeyRJQUTMNYULJXHF-UHFFFAOYSA-N
MW567.67 g/mol
LogP10.66
Rot. Bonds2

About 13-([1]benzothiolo[3,2-b]carbazol-11-yl)-15-phenyl-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene

13-([1]benzothiolo[3,2-b]carbazol-11-yl)-15-phenyl-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene (PubChem CID 170371391) has the molecular formula C38H21N3OS and a molecular weight of 567.67 g/mol. Its IUPAC name is 13-([1]benzothiolo[3,2-b]carbazol-11-yl)-15-phenyl-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene.

Molecular Properties

Compound Name13-([1]benzothiolo[3,2-b]carbazol-11-yl)-15-phenyl-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene
PubChem CID170371391
Molecular FormulaC38H21N3OS
Molecular Weight567.67 g/mol
Exact Mass567.14
IUPAC Name13-([1]benzothiolo[3,2-b]carbazol-11-yl)-15-phenyl-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene
SMILESc1ccc(-c2nc(-n3c4ccccc4c4cc5sc6ccccc6c5cc43)c3oc4ccc5ccccc5c4c3n2)cc1
InChIInChI=1S/C38H21N3OS/c1-2-11-23(12-3-1)37-39-35-34-24-13-5-4-10-22(24)18-19-31(34)42-36(35)38(40-37)41-29-16-8-6-14-25(29)27-21-33-28(20-30(27)41)26-15-7-9-17-32(26)43-33/h1-21H
InChIKeyRJQUTMNYULJXHF-UHFFFAOYSA-N
XLogP10.66
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.67
LogP ≤ 510.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 13-([1]benzothiolo[3,2-b]carbazol-11-yl)-15-phenyl-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene with MolForge

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Related Compounds

11-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[3,2-b]carbazole
CID 67472142
4-[4-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 130334427
22-(15-naphtho[2,1-b][1]benzofuran-10-yl-11-thia-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-13-yl)-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene
CID 126621770
4-(12,27-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.020,28.021,26]triaconta-1(29),2(11),3,5,7,9,13,15,17,19(30),20(28),21,23,25-tetradecaen-27-yl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 130258760
5-[9-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-7-yl]benzo[b]carbazole
CID 166699317
2-([1]benzothiolo[3,2-b]carbazol-11-yl)-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 129225033
4-dibenzothiophen-2-yl-2-phenyl-8-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 134399088
2-[4-([1]benzothiolo[3,2-b]carbazol-11-yl)phenyl]-4-phenyl-[1]benzofuro[2,3-d]pyrimidine
CID 130333643
5-[3-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]benzo[b]carbazole
CID 163791051
11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-phenylphenyl)-2-pyridinyl]-[1]benzothiolo[3,2-b]carbazole
CID 153460232
11-[5-([1]benzothiolo[3,2-b]carbazol-11-yl)-3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)ethyl]-2-pyridinyl]-[1]benzothiolo[3,2-b]carbazole
CID 168783959
11-(9,9-dimethyl-2-phenyl-[1]benzosilolo[2,3-d]pyrimidin-4-yl)-[1]benzothiolo[3,2-b]carbazole
CID 140805573

Frequently Asked Questions

What is the IUPAC name of 13-([1]benzothiolo[3,2-b]carbazol-11-yl)-15-phenyl-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene?
The IUPAC name of 13-([1]benzothiolo[3,2-b]carbazol-11-yl)-15-phenyl-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene (CID 170371391) is 13-([1]benzothiolo[3,2-b]carbazol-11-yl)-15-phenyl-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene.
What is the SMILES notation for 13-([1]benzothiolo[3,2-b]carbazol-11-yl)-15-phenyl-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene?
The canonical SMILES for 13-([1]benzothiolo[3,2-b]carbazol-11-yl)-15-phenyl-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene is c1ccc(-c2nc(-n3c4ccccc4c4cc5sc6ccccc6c5cc43)c3oc4ccc5ccccc5c4c3n2)cc1.
What is the InChIKey of 13-([1]benzothiolo[3,2-b]carbazol-11-yl)-15-phenyl-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene?
The InChIKey is RJQUTMNYULJXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H21N3OS/c1-2-11-23(12-3-1)37-39-35-34-24-13-5-4-10-22(24)18-19-31(34)42-36(35)38(40-37)41-29-16-8-6-14-25(29)27-21-33-28(20-30(27)41)26-15-7-9-17-32(26)43-33/h1-21H.
What are the key properties of 13-([1]benzothiolo[3,2-b]carbazol-11-yl)-15-phenyl-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene?
13-([1]benzothiolo[3,2-b]carbazol-11-yl)-15-phenyl-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene has a molecular weight of 567.67 g/mol, XLogP of 10.66, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 13-([1]benzothiolo[3,2-b]carbazol-11-yl)-15-phenyl-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene is sourced from PubChem (CID 170371391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).