8-phenyl-21-prop-1-en-2-yl-5,13,18,26-tetrathiaheptacyclo[14.10.0.03,14.04,12.06,11.017,25.019,24]hexacosa-1(16),2,4(12),6(11),7,9,14,17(25),19(24),20,22-undecaene

C31H18S4 — CID 143637470

IUPAC8-phenyl-21-prop-1-en-2-yl-5,13,18,26-tetrathiaheptacyclo[14.10.0.03,14.04,12.06,11.017,25.019,24]hexacosa-1(16),2,4(12),6(11),7,9,14,17(25),19(24),20,22-undecaene
SMILESC=C(C)c1ccc2c(c1)sc1c3cc4sc5c6ccc(-c7ccccc7)cc6sc5c4cc3sc21
InChIInChI=1S/C31H18S4/c1-16(2)18-8-10-20-24(12-18)32-30-22-14-27-23(15-26(22)34-28(20)30)31-29(35-27)21-11-9-19(13-25(21)33-31)17-6-4-3-5-7-17/h3-15H,1H2,2H3
InChIKeyCPVREUITPZWSAH-UHFFFAOYSA-N
MW518.75 g/mol
LogP11.55
Rot. Bonds2

About 8-phenyl-21-prop-1-en-2-yl-5,13,18,26-tetrathiaheptacyclo[14.10.0.03,14.04,12.06,11.017,25.019,24]hexacosa-1(16),2,4(12),6(11),7,9,14,17(25),19(24),20,22-undecaene

8-phenyl-21-prop-1-en-2-yl-5,13,18,26-tetrathiaheptacyclo[14.10.0.03,14.04,12.06,11.017,25.019,24]hexacosa-1(16),2,4(12),6(11),7,9,14,17(25),19(24),20,22-undecaene (PubChem CID 143637470) has the molecular formula C31H18S4 and a molecular weight of 518.75 g/mol. Its IUPAC name is 8-phenyl-21-prop-1-en-2-yl-5,13,18,26-tetrathiaheptacyclo[14.10.0.03,14.04,12.06,11.017,25.019,24]hexacosa-1(16),2,4(12),6(11),7,9,14,17(25),19(24),20,22-undecaene.

Molecular Properties

Compound Name8-phenyl-21-prop-1-en-2-yl-5,13,18,26-tetrathiaheptacyclo[14.10.0.03,14.04,12.06,11.017,25.019,24]hexacosa-1(16),2,4(12),6(11),7,9,14,17(25),19(24),20,22-undecaene
PubChem CID143637470
Molecular FormulaC31H18S4
Molecular Weight518.75 g/mol
Exact Mass518.03
IUPAC Name8-phenyl-21-prop-1-en-2-yl-5,13,18,26-tetrathiaheptacyclo[14.10.0.03,14.04,12.06,11.017,25.019,24]hexacosa-1(16),2,4(12),6(11),7,9,14,17(25),19(24),20,22-undecaene
SMILESC=C(C)c1ccc2c(c1)sc1c3cc4sc5c6ccc(-c7ccccc7)cc6sc5c4cc3sc21
InChIInChI=1S/C31H18S4/c1-16(2)18-8-10-20-24(12-18)32-30-22-14-27-23(15-26(22)34-28(20)30)31-29(35-27)21-11-9-19(13-25(21)33-31)17-6-4-3-5-7-17/h3-15H,1H2,2H3
InChIKeyCPVREUITPZWSAH-UHFFFAOYSA-N
XLogP11.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.75
LogP ≤ 511.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-phenyl-21-prop-1-en-2-yl-5,13,18,26-tetrathiaheptacyclo[14.10.0.03,14.04,12.06,11.017,25.019,24]hexacosa-1(16),2,4(12),6(11),7,9,14,17(25),19(24),20,22-undecaene with MolForge

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

Launch Full Analysis

Related Compounds

6-phenyl-3,11,19-trithiapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13,15,17-octaene
CID 118374098
ethane;2-[(2E,4Z)-hepta-2,4-dien-3-yl]-7-phenyl-[1]benzothiolo[3,2-b][1]benzothiole
CID 144577717
1,3-diphenyl-5-(3-prop-1-en-2-ylphenyl)benzene
CID 145452335
2-[4-[5-[4-([1]benzothiolo[3,2-b][1]benzothiol-2-yl)phenyl]naphthalen-1-yl]phenyl]-[1]benzothiolo[3,2-b][1]benzothiole
CID 156519950
11,12-dimethoxy-6,17-bis(4-phenylphenyl)-3,20-dithiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4(9),5,7,10,12,14(19),15,17-nonaene
CID 164933466
(9-phenylnaphtho[1,2-b][1]benzothiol-5-yl)boronic acid
CID 177294797
7-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-16-(16-phenyl-3,20-dithiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-7-yl)-3,20-dithiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene
CID 135208579
2,7-bis(4-phenanthren-2-ylphenyl)-[1]benzothiolo[3,2-b][1]benzothiole
CID 162689961
8,22-diphenyl-5,19-dithiaheptacyclo[15.11.0.03,15.04,12.06,11.018,26.020,25]octacosa-1,3(15),4(12),6(11),7,9,13,16,18(26),20(25),21,23,27-tridecaene
CID 132594863
7-octyl-2-phenyl-[1]benzothiolo[3,2-b][1]benzothiole
CID 90049058
6-[2-(6-carboxynaphthalen-2-yl)-[1]benzothiolo[3,2-b][1]benzothiol-7-yl]naphthalene-2-carboxylic acid
CID 58150710
2,7-bis(4-methoxyphenyl)-[1]benzothiolo[3,2-b][1]benzothiole
CID 126549760

Frequently Asked Questions

What is the IUPAC name of 8-phenyl-21-prop-1-en-2-yl-5,13,18,26-tetrathiaheptacyclo[14.10.0.03,14.04,12.06,11.017,25.019,24]hexacosa-1(16),2,4(12),6(11),7,9,14,17(25),19(24),20,22-undecaene?
The IUPAC name of 8-phenyl-21-prop-1-en-2-yl-5,13,18,26-tetrathiaheptacyclo[14.10.0.03,14.04,12.06,11.017,25.019,24]hexacosa-1(16),2,4(12),6(11),7,9,14,17(25),19(24),20,22-undecaene (CID 143637470) is 8-phenyl-21-prop-1-en-2-yl-5,13,18,26-tetrathiaheptacyclo[14.10.0.03,14.04,12.06,11.017,25.019,24]hexacosa-1(16),2,4(12),6(11),7,9,14,17(25),19(24),20,22-undecaene.
What is the SMILES notation for 8-phenyl-21-prop-1-en-2-yl-5,13,18,26-tetrathiaheptacyclo[14.10.0.03,14.04,12.06,11.017,25.019,24]hexacosa-1(16),2,4(12),6(11),7,9,14,17(25),19(24),20,22-undecaene?
The canonical SMILES for 8-phenyl-21-prop-1-en-2-yl-5,13,18,26-tetrathiaheptacyclo[14.10.0.03,14.04,12.06,11.017,25.019,24]hexacosa-1(16),2,4(12),6(11),7,9,14,17(25),19(24),20,22-undecaene is C=C(C)c1ccc2c(c1)sc1c3cc4sc5c6ccc(-c7ccccc7)cc6sc5c4cc3sc21.
What is the InChIKey of 8-phenyl-21-prop-1-en-2-yl-5,13,18,26-tetrathiaheptacyclo[14.10.0.03,14.04,12.06,11.017,25.019,24]hexacosa-1(16),2,4(12),6(11),7,9,14,17(25),19(24),20,22-undecaene?
The InChIKey is CPVREUITPZWSAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H18S4/c1-16(2)18-8-10-20-24(12-18)32-30-22-14-27-23(15-26(22)34-28(20)30)31-29(35-27)21-11-9-19(13-25(21)33-31)17-6-4-3-5-7-17/h3-15H,1H2,2H3.
What are the key properties of 8-phenyl-21-prop-1-en-2-yl-5,13,18,26-tetrathiaheptacyclo[14.10.0.03,14.04,12.06,11.017,25.019,24]hexacosa-1(16),2,4(12),6(11),7,9,14,17(25),19(24),20,22-undecaene?
8-phenyl-21-prop-1-en-2-yl-5,13,18,26-tetrathiaheptacyclo[14.10.0.03,14.04,12.06,11.017,25.019,24]hexacosa-1(16),2,4(12),6(11),7,9,14,17(25),19(24),20,22-undecaene has a molecular weight of 518.75 g/mol, XLogP of 11.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-phenyl-21-prop-1-en-2-yl-5,13,18,26-tetrathiaheptacyclo[14.10.0.03,14.04,12.06,11.017,25.019,24]hexacosa-1(16),2,4(12),6(11),7,9,14,17(25),19(24),20,22-undecaene is sourced from PubChem (CID 143637470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).