(2E)-2-ethylidene-1',3'-dimethyl-3-propan-2-ylidenespiro[indene-1,4'-indeno[1,2-c]thiophene]

C26H24S — CID 156721179

IUPAC(2E)-2-ethylidene-1',3'-dimethyl-3-propan-2-ylidenespiro[indene-1,4'-indeno[1,2-c]thiophene]
SMILESC/C=C1\C(=C(C)C)c2ccccc2C12c1ccccc1-c1c(C)sc(C)c12
InChIInChI=1S/C26H24S/c1-6-20-23(15(2)3)18-11-7-9-13-21(18)26(20)22-14-10-8-12-19(22)24-16(4)27-17(5)25(24)26/h6-14H,1-5H3/b20-6+
InChIKeyKZDZYRQRGZKNEX-CGOBSMCZSA-N
MW368.55 g/mol
LogP7.43
Rot. Bonds

About (2E)-2-ethylidene-1',3'-dimethyl-3-propan-2-ylidenespiro[indene-1,4'-indeno[1,2-c]thiophene]

(2E)-2-ethylidene-1',3'-dimethyl-3-propan-2-ylidenespiro[indene-1,4'-indeno[1,2-c]thiophene] (PubChem CID 156721179) has the molecular formula C26H24S and a molecular weight of 368.55 g/mol. Its IUPAC name is (2E)-2-ethylidene-1',3'-dimethyl-3-propan-2-ylidenespiro[indene-1,4'-indeno[1,2-c]thiophene].

Molecular Properties

Compound Name(2E)-2-ethylidene-1',3'-dimethyl-3-propan-2-ylidenespiro[indene-1,4'-indeno[1,2-c]thiophene]
PubChem CID156721179
Molecular FormulaC26H24S
Molecular Weight368.55 g/mol
Exact Mass368.16
IUPAC Name(2E)-2-ethylidene-1',3'-dimethyl-3-propan-2-ylidenespiro[indene-1,4'-indeno[1,2-c]thiophene]
SMILESC/C=C1\C(=C(C)C)c2ccccc2C12c1ccccc1-c1c(C)sc(C)c12
InChIInChI=1S/C26H24S/c1-6-20-23(15(2)3)18-11-7-9-13-21(18)26(20)22-14-10-8-12-19(22)24-16(4)27-17(5)25(24)26/h6-14H,1-5H3/b20-6+
InChIKeyKZDZYRQRGZKNEX-CGOBSMCZSA-N
XLogP7.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.55
LogP ≤ 57.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3'-methylspiro[fluorene-9,4'-indeno[1,2-c]thiophene]-1'-yl)astatine
CID 156721119
4'-methyl-9,9'-spirobi[fluorene]
CID 91359179
9,9'-spirobi[fluorene]-4'-ylboronic acid
CID 71249292
CID 86241062
CID 86241062
N-(9,9'-spirobi[fluorene]-1-yl)acetamide
CID 175536540
4-[10-[1-[(2Z)-2-ethylidene-3,3-dimethylinden-1-ylidene]prop-2-enyl]-3-methylanthracen-9-yl]dibenzothiophene
CID 173484911
(9,9-diphenylfluoren-4-yl)boronic acid
CID 119081433
4',9,9-trimethylspiro[anthracene-10,9'-fluorene]
CID 142504465
4-methyl-9,9-diphenylfluorene
CID 123595050
9,9,18,18,27,27-hexakis-phenylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
CID 59217347
4-bromo-4'-methyl-9,9'-spirobi[fluorene]
CID 123165749
4-methyl-9-(2-methylphenyl)-9-phenylfluorene
CID 145360950

Frequently Asked Questions

What is the IUPAC name of (2E)-2-ethylidene-1',3'-dimethyl-3-propan-2-ylidenespiro[indene-1,4'-indeno[1,2-c]thiophene]?
The IUPAC name of (2E)-2-ethylidene-1',3'-dimethyl-3-propan-2-ylidenespiro[indene-1,4'-indeno[1,2-c]thiophene] (CID 156721179) is (2E)-2-ethylidene-1',3'-dimethyl-3-propan-2-ylidenespiro[indene-1,4'-indeno[1,2-c]thiophene].
What is the SMILES notation for (2E)-2-ethylidene-1',3'-dimethyl-3-propan-2-ylidenespiro[indene-1,4'-indeno[1,2-c]thiophene]?
The canonical SMILES for (2E)-2-ethylidene-1',3'-dimethyl-3-propan-2-ylidenespiro[indene-1,4'-indeno[1,2-c]thiophene] is C/C=C1\C(=C(C)C)c2ccccc2C12c1ccccc1-c1c(C)sc(C)c12.
What is the InChIKey of (2E)-2-ethylidene-1',3'-dimethyl-3-propan-2-ylidenespiro[indene-1,4'-indeno[1,2-c]thiophene]?
The InChIKey is KZDZYRQRGZKNEX-CGOBSMCZSA-N. The full InChI is InChI=1S/C26H24S/c1-6-20-23(15(2)3)18-11-7-9-13-21(18)26(20)22-14-10-8-12-19(22)24-16(4)27-17(5)25(24)26/h6-14H,1-5H3/b20-6+.
What are the key properties of (2E)-2-ethylidene-1',3'-dimethyl-3-propan-2-ylidenespiro[indene-1,4'-indeno[1,2-c]thiophene]?
(2E)-2-ethylidene-1',3'-dimethyl-3-propan-2-ylidenespiro[indene-1,4'-indeno[1,2-c]thiophene] has a molecular weight of 368.55 g/mol, XLogP of 7.43, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-ethylidene-1',3'-dimethyl-3-propan-2-ylidenespiro[indene-1,4'-indeno[1,2-c]thiophene] is sourced from PubChem (CID 156721179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).