14-methyl-12-phenyl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

C25H17NS — CID 176615448

IUPAC14-methyl-12-phenyl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
SMILESCn1c2ccccc2c2c3c(cc(-c4ccccc4)c21)sc1ccccc13
InChIInChI=1S/C25H17NS/c1-26-20-13-7-5-11-17(20)24-23-18-12-6-8-14-21(18)27-22(23)15-19(25(24)26)16-9-3-2-4-10-16/h2-15H,1H3
InChIKeyBEQVOJHITZJEDZ-UHFFFAOYSA-N
MW363.49 g/mol
LogP7.37
Rot. Bonds1

About 14-methyl-12-phenyl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

14-methyl-12-phenyl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene (PubChem CID 176615448) has the molecular formula C25H17NS and a molecular weight of 363.49 g/mol. Its IUPAC name is 14-methyl-12-phenyl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene.

Molecular Properties

Compound Name14-methyl-12-phenyl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
PubChem CID176615448
Molecular FormulaC25H17NS
Molecular Weight363.49 g/mol
Exact Mass363.11
IUPAC Name14-methyl-12-phenyl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
SMILESCn1c2ccccc2c2c3c(cc(-c4ccccc4)c21)sc1ccccc13
InChIInChI=1S/C25H17NS/c1-26-20-13-7-5-11-17(20)24-23-18-12-6-8-14-21(18)27-22(23)15-19(25(24)26)16-9-3-2-4-10-16/h2-15H,1H3
InChIKeyBEQVOJHITZJEDZ-UHFFFAOYSA-N
XLogP7.37
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.49
LogP ≤ 57.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 14-methyl-12-phenyl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene with MolForge

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Related Compounds

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CID 169027653
11-methyl-7-phenyl-[1]benzothiolo[3,2-b]carbazole
CID 169027727
7-methyl-11-phenyl-[1]benzothiolo[2,3-b]carbazole
CID 169028017
12-phenyl-7-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-a]carbazole
CID 134530318
3-bromo-9-methyl-1-phenylcarbazole
CID 163978130
21-methyl-9-thia-21-azahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3,5,7,11,14(22),15,17,19,23-undecaene
CID 129296816
3,6-dimethyl-4-phenylpyrrolo[2,3-c]carbazole
CID 139052416
6-tert-butyl-5-methyl-[1]benzothiolo[3,2-c]carbazole
CID 169027921
1-phenyldibenzothiophene;hydrobromide
CID 174679709
12-phenyl-7-(9-phenylcarbazol-2-yl)-[1]benzothiolo[3,2-a]carbazole
CID 134530331
2,3,11-trimethyl-5,6-diphenylbenzo[a]carbazole
CID 71620291
11-methyl-5,6-diphenylbenzo[a]carbazole
CID 102308000

Frequently Asked Questions

What is the IUPAC name of 14-methyl-12-phenyl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
The IUPAC name of 14-methyl-12-phenyl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene (CID 176615448) is 14-methyl-12-phenyl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene.
What is the SMILES notation for 14-methyl-12-phenyl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
The canonical SMILES for 14-methyl-12-phenyl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene is Cn1c2ccccc2c2c3c(cc(-c4ccccc4)c21)sc1ccccc13.
What is the InChIKey of 14-methyl-12-phenyl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
The InChIKey is BEQVOJHITZJEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17NS/c1-26-20-13-7-5-11-17(20)24-23-18-12-6-8-14-21(18)27-22(23)15-19(25(24)26)16-9-3-2-4-10-16/h2-15H,1H3.
What are the key properties of 14-methyl-12-phenyl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
14-methyl-12-phenyl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene has a molecular weight of 363.49 g/mol, XLogP of 7.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 14-methyl-12-phenyl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene is sourced from PubChem (CID 176615448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).