(10,16-dimethyl-12,14-dithiapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)-phenylmethanol

C30H24OS2 — CID 134936242

IUPAC(10,16-dimethyl-12,14-dithiapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)-phenylmethanol
SMILESCc1cc2ccccc2c2c1SC(C(O)c1ccccc1)Sc1c(C)cc3ccccc3c1-2
InChIInChI=1S/C30H24OS2/c1-18-16-21-12-6-8-14-23(21)25-26-24-15-9-7-13-22(24)17-19(2)29(26)33-30(32-28(18)25)27(31)20-10-4-3-5-11-20/h3-17,27,30-31H,1-2H3
InChIKeyDDGBVKHBDWNENV-UHFFFAOYSA-N
MW464.66 g/mol
LogP8.53
Rot. Bonds2

About (10,16-dimethyl-12,14-dithiapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)-phenylmethanol

(10,16-dimethyl-12,14-dithiapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)-phenylmethanol (PubChem CID 134936242) has the molecular formula C30H24OS2 and a molecular weight of 464.66 g/mol. Its IUPAC name is (10,16-dimethyl-12,14-dithiapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)-phenylmethanol.

Molecular Properties

Compound Name(10,16-dimethyl-12,14-dithiapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)-phenylmethanol
PubChem CID134936242
Molecular FormulaC30H24OS2
Molecular Weight464.66 g/mol
Exact Mass464.13
IUPAC Name(10,16-dimethyl-12,14-dithiapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)-phenylmethanol
SMILESCc1cc2ccccc2c2c1SC(C(O)c1ccccc1)Sc1c(C)cc3ccccc3c1-2
InChIInChI=1S/C30H24OS2/c1-18-16-21-12-6-8-14-23(21)25-26-24-15-9-7-13-22(24)17-19(2)29(26)33-30(32-28(18)25)27(31)20-10-4-3-5-11-20/h3-17,27,30-31H,1-2H3
InChIKeyDDGBVKHBDWNENV-UHFFFAOYSA-N
XLogP8.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.66
LogP ≤ 58.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (10,16-dimethyl-12,14-dithiapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)-phenylmethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (10,16-dimethyl-12,14-dithiapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)-phenylmethanol?
The IUPAC name of (10,16-dimethyl-12,14-dithiapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)-phenylmethanol (CID 134936242) is (10,16-dimethyl-12,14-dithiapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)-phenylmethanol.
What is the SMILES notation for (10,16-dimethyl-12,14-dithiapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)-phenylmethanol?
The canonical SMILES for (10,16-dimethyl-12,14-dithiapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)-phenylmethanol is Cc1cc2ccccc2c2c1SC(C(O)c1ccccc1)Sc1c(C)cc3ccccc3c1-2.
What is the InChIKey of (10,16-dimethyl-12,14-dithiapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)-phenylmethanol?
The InChIKey is DDGBVKHBDWNENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24OS2/c1-18-16-21-12-6-8-14-23(21)25-26-24-15-9-7-13-22(24)17-19(2)29(26)33-30(32-28(18)25)27(31)20-10-4-3-5-11-20/h3-17,27,30-31H,1-2H3.
What are the key properties of (10,16-dimethyl-12,14-dithiapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)-phenylmethanol?
(10,16-dimethyl-12,14-dithiapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)-phenylmethanol has a molecular weight of 464.66 g/mol, XLogP of 8.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (10,16-dimethyl-12,14-dithiapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)-phenylmethanol is sourced from PubChem (CID 134936242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).