17,17-dimethyl-21,21-diphenyl-10-thiapentacyclo[11.8.0.03,11.04,9.014,20]henicosa-1(13),2,4,6,8,11,14(20),15,18-nonaene

C34H26S — CID 167132268

IUPAC17,17-dimethyl-21,21-diphenyl-10-thiapentacyclo[11.8.0.03,11.04,9.014,20]henicosa-1(13),2,4,6,8,11,14(20),15,18-nonaene
SMILESCC1(C)C=CC2=C(C=C1)C(c1ccccc1)(c1ccccc1)c1cc3c(cc12)sc1ccccc13
InChIInChI=1S/C34H26S/c1-33(2)19-17-25-27-22-32-28(26-15-9-10-16-31(26)35-32)21-30(27)34(29(25)18-20-33,23-11-5-3-6-12-23)24-13-7-4-8-14-24/h3-22H,1-2H3
InChIKeyAVCFUTROAQMEMF-UHFFFAOYSA-N
MW466.65 g/mol
LogP9.31
Rot. Bonds2

About 17,17-dimethyl-21,21-diphenyl-10-thiapentacyclo[11.8.0.03,11.04,9.014,20]henicosa-1(13),2,4,6,8,11,14(20),15,18-nonaene

17,17-dimethyl-21,21-diphenyl-10-thiapentacyclo[11.8.0.03,11.04,9.014,20]henicosa-1(13),2,4,6,8,11,14(20),15,18-nonaene (PubChem CID 167132268) has the molecular formula C34H26S and a molecular weight of 466.65 g/mol. Its IUPAC name is 17,17-dimethyl-21,21-diphenyl-10-thiapentacyclo[11.8.0.03,11.04,9.014,20]henicosa-1(13),2,4,6,8,11,14(20),15,18-nonaene.

Molecular Properties

Compound Name17,17-dimethyl-21,21-diphenyl-10-thiapentacyclo[11.8.0.03,11.04,9.014,20]henicosa-1(13),2,4,6,8,11,14(20),15,18-nonaene
PubChem CID167132268
Molecular FormulaC34H26S
Molecular Weight466.65 g/mol
Exact Mass466.18
IUPAC Name17,17-dimethyl-21,21-diphenyl-10-thiapentacyclo[11.8.0.03,11.04,9.014,20]henicosa-1(13),2,4,6,8,11,14(20),15,18-nonaene
SMILESCC1(C)C=CC2=C(C=C1)C(c1ccccc1)(c1ccccc1)c1cc3c(cc12)sc1ccccc13
InChIInChI=1S/C34H26S/c1-33(2)19-17-25-27-22-32-28(26-15-9-10-16-31(26)35-32)21-30(27)34(29(25)18-20-33,23-11-5-3-6-12-23)24-13-7-4-8-14-24/h3-22H,1-2H3
InChIKeyAVCFUTROAQMEMF-UHFFFAOYSA-N
XLogP9.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.65
LogP ≤ 59.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 17,17-dimethyl-21,21-diphenyl-10-thiapentacyclo[11.8.0.03,11.04,9.014,20]henicosa-1(13),2,4,6,8,11,14(20),15,18-nonaene with MolForge

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Related Compounds

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CID 163413973
10,10-diphenyl-21-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,15,17,19-nonaen-14-one
CID 164838771
7,7,10,10-tetramethyl-8,9-dihydronaphtho[2,3-b][1]benzothiole
CID 169030116
20,20,21,21-tetramethyl-N,N-diphenyl-10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14(19),15,17-nonaen-16-amine
CID 163425988
9-(11,11-dimethylfluoreno[3,2-b][1]benzothiol-9-yl)carbazole
CID 58501473
11'-bromospiro[fluoreno[3,2-b][1]benzothiole-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]
CID 130463583
(1R)-1-methylspiro[1,2-dihydro-[1]benzothiolo[3,2-f]isoindole-3,5'-cyclopenta-1,3-diene]
CID 118033780
N-(9,9-diphenylfluoren-2-yl)-N-phenyldibenzothiophen-2-amine
CID 118298288
N-(9,9-diphenylfluoren-2-yl)-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-2-amine
CID 121381480
N-(9,9-diphenylfluoren-2-yl)-N-(9,9-diphenylfluoren-3-yl)dibenzothiophen-2-amine
CID 121423623
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Frequently Asked Questions

What is the IUPAC name of 17,17-dimethyl-21,21-diphenyl-10-thiapentacyclo[11.8.0.03,11.04,9.014,20]henicosa-1(13),2,4,6,8,11,14(20),15,18-nonaene?
The IUPAC name of 17,17-dimethyl-21,21-diphenyl-10-thiapentacyclo[11.8.0.03,11.04,9.014,20]henicosa-1(13),2,4,6,8,11,14(20),15,18-nonaene (CID 167132268) is 17,17-dimethyl-21,21-diphenyl-10-thiapentacyclo[11.8.0.03,11.04,9.014,20]henicosa-1(13),2,4,6,8,11,14(20),15,18-nonaene.
What is the SMILES notation for 17,17-dimethyl-21,21-diphenyl-10-thiapentacyclo[11.8.0.03,11.04,9.014,20]henicosa-1(13),2,4,6,8,11,14(20),15,18-nonaene?
The canonical SMILES for 17,17-dimethyl-21,21-diphenyl-10-thiapentacyclo[11.8.0.03,11.04,9.014,20]henicosa-1(13),2,4,6,8,11,14(20),15,18-nonaene is CC1(C)C=CC2=C(C=C1)C(c1ccccc1)(c1ccccc1)c1cc3c(cc12)sc1ccccc13.
What is the InChIKey of 17,17-dimethyl-21,21-diphenyl-10-thiapentacyclo[11.8.0.03,11.04,9.014,20]henicosa-1(13),2,4,6,8,11,14(20),15,18-nonaene?
The InChIKey is AVCFUTROAQMEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H26S/c1-33(2)19-17-25-27-22-32-28(26-15-9-10-16-31(26)35-32)21-30(27)34(29(25)18-20-33,23-11-5-3-6-12-23)24-13-7-4-8-14-24/h3-22H,1-2H3.
What are the key properties of 17,17-dimethyl-21,21-diphenyl-10-thiapentacyclo[11.8.0.03,11.04,9.014,20]henicosa-1(13),2,4,6,8,11,14(20),15,18-nonaene?
17,17-dimethyl-21,21-diphenyl-10-thiapentacyclo[11.8.0.03,11.04,9.014,20]henicosa-1(13),2,4,6,8,11,14(20),15,18-nonaene has a molecular weight of 466.65 g/mol, XLogP of 9.31, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 17,17-dimethyl-21,21-diphenyl-10-thiapentacyclo[11.8.0.03,11.04,9.014,20]henicosa-1(13),2,4,6,8,11,14(20),15,18-nonaene is sourced from PubChem (CID 167132268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).