6-propyl-2-[2-[2-[2-[2-[3-(6-propyl-1H-inden-2-yl)prop-1-en-2-yl]phenyl]ethyl]phenyl]prop-2-enyl]-1H-indene

C44H46 — CID 21146091

IUPAC6-propyl-2-[2-[2-[2-[2-[3-(6-propyl-1H-inden-2-yl)prop-1-en-2-yl]phenyl]ethyl]phenyl]prop-2-enyl]-1H-indene
SMILESC=C(CC1=Cc2ccc(CCC)cc2C1)c1ccccc1CCc1ccccc1C(=C)CC1=Cc2ccc(CCC)cc2C1
InChIInChI=1S/C44H46/c1-5-11-33-17-19-39-27-35(29-41(39)25-33)23-31(3)43-15-9-7-13-37(43)21-22-38-14-8-10-16-44(38)32(4)24-36-28-40-20-18-34(12-6-2)26-42(40)30-36/h7-10,13-20,25-28H,3-6,11-12,21-24,29-30H2,1-2H3
InChIKeyWAPGYTRFVQCWPS-UHFFFAOYSA-N
MW574.85 g/mol
LogP11.46
Rot. Bonds13

About 6-propyl-2-[2-[2-[2-[2-[3-(6-propyl-1H-inden-2-yl)prop-1-en-2-yl]phenyl]ethyl]phenyl]prop-2-enyl]-1H-indene

6-propyl-2-[2-[2-[2-[2-[3-(6-propyl-1H-inden-2-yl)prop-1-en-2-yl]phenyl]ethyl]phenyl]prop-2-enyl]-1H-indene (PubChem CID 21146091) has the molecular formula C44H46 and a molecular weight of 574.85 g/mol. Its IUPAC name is 6-propyl-2-[2-[2-[2-[2-[3-(6-propyl-1H-inden-2-yl)prop-1-en-2-yl]phenyl]ethyl]phenyl]prop-2-enyl]-1H-indene.

Molecular Properties

Compound Name6-propyl-2-[2-[2-[2-[2-[3-(6-propyl-1H-inden-2-yl)prop-1-en-2-yl]phenyl]ethyl]phenyl]prop-2-enyl]-1H-indene
PubChem CID21146091
Molecular FormulaC44H46
Molecular Weight574.85 g/mol
Exact Mass574.36
IUPAC Name6-propyl-2-[2-[2-[2-[2-[3-(6-propyl-1H-inden-2-yl)prop-1-en-2-yl]phenyl]ethyl]phenyl]prop-2-enyl]-1H-indene
SMILESC=C(CC1=Cc2ccc(CCC)cc2C1)c1ccccc1CCc1ccccc1C(=C)CC1=Cc2ccc(CCC)cc2C1
InChIInChI=1S/C44H46/c1-5-11-33-17-19-39-27-35(29-41(39)25-33)23-31(3)43-15-9-7-13-37(43)21-22-38-14-8-10-16-44(38)32(4)24-36-28-40-20-18-34(12-6-2)26-42(40)30-36/h7-10,13-20,25-28H,3-6,11-12,21-24,29-30H2,1-2H3
InChIKeyWAPGYTRFVQCWPS-UHFFFAOYSA-N
XLogP11.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.85
LogP ≤ 511.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 6-propyl-2-[2-[2-[2-[2-[3-(6-propyl-1H-inden-2-yl)prop-1-en-2-yl]phenyl]ethyl]phenyl]prop-2-enyl]-1H-indene with MolForge

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Related Compounds

1-(2-propylphenyl)ethenol
CID 89240118
1-ethyl-2-pent-1-en-2-ylbenzene
CID 173350978
1-methyl-4-[2-[2-(3-phenylprop-1-en-2-yl)phenyl]ethyl]benzene
CID 140698702
1-(2-phenylprop-2-enyl)-4-propylbenzene
CID 57162599
5,6-difluoro-2-propyl-1H-indene
CID 139945533
3-propylbicyclo[4.2.0]octa-1(6),2,4-triene
CID 59134563
2-methylidene-1-(2-propylphenyl)pentane-1,3-dione
CID 164569828
1-[1-(1-ethylcyclohexa-2,4-dien-1-yl)ethenyl]-2-propylbenzene
CID 154414080
2,7-dipropyl-9,10-dihydrophenanthrene
CID 159085021
6-propyl-1H-naphthalen-2-one
CID 141020466
2,5-dipropylbenzoic acid
CID 139904729
1-butyl-2-(1-fluoroethenyl)benzene
CID 143939431

Frequently Asked Questions

What is the IUPAC name of 6-propyl-2-[2-[2-[2-[2-[3-(6-propyl-1H-inden-2-yl)prop-1-en-2-yl]phenyl]ethyl]phenyl]prop-2-enyl]-1H-indene?
The IUPAC name of 6-propyl-2-[2-[2-[2-[2-[3-(6-propyl-1H-inden-2-yl)prop-1-en-2-yl]phenyl]ethyl]phenyl]prop-2-enyl]-1H-indene (CID 21146091) is 6-propyl-2-[2-[2-[2-[2-[3-(6-propyl-1H-inden-2-yl)prop-1-en-2-yl]phenyl]ethyl]phenyl]prop-2-enyl]-1H-indene.
What is the SMILES notation for 6-propyl-2-[2-[2-[2-[2-[3-(6-propyl-1H-inden-2-yl)prop-1-en-2-yl]phenyl]ethyl]phenyl]prop-2-enyl]-1H-indene?
The canonical SMILES for 6-propyl-2-[2-[2-[2-[2-[3-(6-propyl-1H-inden-2-yl)prop-1-en-2-yl]phenyl]ethyl]phenyl]prop-2-enyl]-1H-indene is C=C(CC1=Cc2ccc(CCC)cc2C1)c1ccccc1CCc1ccccc1C(=C)CC1=Cc2ccc(CCC)cc2C1.
What is the InChIKey of 6-propyl-2-[2-[2-[2-[2-[3-(6-propyl-1H-inden-2-yl)prop-1-en-2-yl]phenyl]ethyl]phenyl]prop-2-enyl]-1H-indene?
The InChIKey is WAPGYTRFVQCWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H46/c1-5-11-33-17-19-39-27-35(29-41(39)25-33)23-31(3)43-15-9-7-13-37(43)21-22-38-14-8-10-16-44(38)32(4)24-36-28-40-20-18-34(12-6-2)26-42(40)30-36/h7-10,13-20,25-28H,3-6,11-12,21-24,29-30H2,1-2H3.
What are the key properties of 6-propyl-2-[2-[2-[2-[2-[3-(6-propyl-1H-inden-2-yl)prop-1-en-2-yl]phenyl]ethyl]phenyl]prop-2-enyl]-1H-indene?
6-propyl-2-[2-[2-[2-[2-[3-(6-propyl-1H-inden-2-yl)prop-1-en-2-yl]phenyl]ethyl]phenyl]prop-2-enyl]-1H-indene has a molecular weight of 574.85 g/mol, XLogP of 11.46, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propyl-2-[2-[2-[2-[2-[3-(6-propyl-1H-inden-2-yl)prop-1-en-2-yl]phenyl]ethyl]phenyl]prop-2-enyl]-1H-indene is sourced from PubChem (CID 21146091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).