(2E,3Z)-2,3-di(ethylidene)-1-phenylindole;ethane;9-methylcarbazole

C33H34N2 — CID 142288602

IUPAC(2E,3Z)-2,3-di(ethylidene)-1-phenylindole;ethane;9-methylcarbazole
SMILESC/C=c1\c(=C/C)n(-c2ccccc2)c2ccccc12.CC.Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C18H17N.C13H11N.C2H6/c1-3-15-16-12-8-9-13-18(16)19(17(15)4-2)14-10-6-5-7-11-14;1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14;1-2/h3-13H,1-2H3;2-9H,1H3;1-2H3/b15-3-,17-4+;;
InChIKeyLHFLVGFIICUJBP-RWYOTXNWSA-N
MW458.65 g/mol
LogP7.59
Rot. Bonds1

About (2E,3Z)-2,3-di(ethylidene)-1-phenylindole;ethane;9-methylcarbazole

(2E,3Z)-2,3-di(ethylidene)-1-phenylindole;ethane;9-methylcarbazole (PubChem CID 142288602) has the molecular formula C33H34N2 and a molecular weight of 458.65 g/mol. Its IUPAC name is (2E,3Z)-2,3-di(ethylidene)-1-phenylindole;ethane;9-methylcarbazole.

Molecular Properties

Compound Name(2E,3Z)-2,3-di(ethylidene)-1-phenylindole;ethane;9-methylcarbazole
PubChem CID142288602
Molecular FormulaC33H34N2
Molecular Weight458.65 g/mol
Exact Mass458.27
IUPAC Name(2E,3Z)-2,3-di(ethylidene)-1-phenylindole;ethane;9-methylcarbazole
SMILESC/C=c1\c(=C/C)n(-c2ccccc2)c2ccccc12.CC.Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C18H17N.C13H11N.C2H6/c1-3-15-16-12-8-9-13-18(16)19(17(15)4-2)14-10-6-5-7-11-14;1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14;1-2/h3-13H,1-2H3;2-9H,1H3;1-2H3/b15-3-,17-4+;;
InChIKeyLHFLVGFIICUJBP-RWYOTXNWSA-N
XLogP7.59
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.65
LogP ≤ 57.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2E,3Z)-2,3-di(ethylidene)-1-phenylindole;ethane;9-methylcarbazole 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

ethane;9-methylcarbazole;9-phenylcarbazole
CID 159293304
3-[(2E,3Z)-2,3-di(ethylidene)-1-(3-phenylphenyl)indol-5-yl]-9-(3-phenylphenyl)carbazole;ethane
CID 142521163
5-[(2E,3Z)-2,3-di(ethylidene)-1-phenylindol-5-yl]-11-phenylbenzo[a]carbazole;ethane
CID 164569486
3-[(2E,3Z)-2,3-di(ethylidene)-1-phenylindol-5-yl]-9-phenyl-6-triphenylen-2-ylcarbazole
CID 164569185
3-[(2E,3Z)-2,3-di(ethylidene)-1-phenylindol-5-yl]-6-phenyl-9-(4-phenylphenyl)carbazole;ethane
CID 142521150
3-[(2E,3Z)-2,3-di(ethylidene)-1-phenylindol-5-yl]-9-phenyl-6-(4-phenylphenyl)carbazole
CID 142521068
bis(1,1'-biphenyl);ethane;tetrakis(9-methylcarbazole);naphthalene;octakis(9-phenylcarbazole)
CID 159506518
ethane;(2E,3Z)-2-ethylidene-1-methyl-3-[(Z)-2-methylbut-2-enylidene]indole
CID 143759695
6-[3-[3-[(2E,3Z)-2,3-di(ethylidene)-1-phenylindol-5-yl]carbazol-9-yl]-5-(2,3,4,5,6-pentahydroxyphenyl)phenyl]benzene-1,2,3,4,5-pentol
CID 153344471
ethane;bis(9-methylcarbazole)
CID 159710949
ethane;9-methylcarbazole;triphenylene
CID 142356751
9-methyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;(3Z)-penta-1,3-diene
CID 144919850

Frequently Asked Questions

What is the IUPAC name of (2E,3Z)-2,3-di(ethylidene)-1-phenylindole;ethane;9-methylcarbazole?
The IUPAC name of (2E,3Z)-2,3-di(ethylidene)-1-phenylindole;ethane;9-methylcarbazole (CID 142288602) is (2E,3Z)-2,3-di(ethylidene)-1-phenylindole;ethane;9-methylcarbazole.
What is the SMILES notation for (2E,3Z)-2,3-di(ethylidene)-1-phenylindole;ethane;9-methylcarbazole?
The canonical SMILES for (2E,3Z)-2,3-di(ethylidene)-1-phenylindole;ethane;9-methylcarbazole is C/C=c1\c(=C/C)n(-c2ccccc2)c2ccccc12.CC.Cn1c2ccccc2c2ccccc21.
What is the InChIKey of (2E,3Z)-2,3-di(ethylidene)-1-phenylindole;ethane;9-methylcarbazole?
The InChIKey is LHFLVGFIICUJBP-RWYOTXNWSA-N. The full InChI is InChI=1S/C18H17N.C13H11N.C2H6/c1-3-15-16-12-8-9-13-18(16)19(17(15)4-2)14-10-6-5-7-11-14;1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14;1-2/h3-13H,1-2H3;2-9H,1H3;1-2H3/b15-3-,17-4+;;.
What are the key properties of (2E,3Z)-2,3-di(ethylidene)-1-phenylindole;ethane;9-methylcarbazole?
(2E,3Z)-2,3-di(ethylidene)-1-phenylindole;ethane;9-methylcarbazole has a molecular weight of 458.65 g/mol, XLogP of 7.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3Z)-2,3-di(ethylidene)-1-phenylindole;ethane;9-methylcarbazole is sourced from PubChem (CID 142288602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).