5-(2,3-dimethyl-3H-inden-1-yl)-8-phenyl-1,2,3,5-tetrahydro-s-indacene

C29H26 — CID 174222233

IUPAC5-(2,3-dimethyl-3H-inden-1-yl)-8-phenyl-1,2,3,5-tetrahydro-s-indacene
SMILESCC1=C(C2C=Cc3c2cc2c(c3-c3ccccc3)CCC2)c2ccccc2C1C
InChIInChI=1S/C29H26/c1-18-19(2)28(24-13-7-6-12-22(18)24)25-15-16-26-27(25)17-21-11-8-14-23(21)29(26)20-9-4-3-5-10-20/h3-7,9-10,12-13,15-18,25H,8,11,14H2,1-2H3
InChIKeyNFQAPNDIVACBDG-UHFFFAOYSA-N
MW374.53 g/mol
LogP7.54
Rot. Bonds2

About 5-(2,3-dimethyl-3H-inden-1-yl)-8-phenyl-1,2,3,5-tetrahydro-s-indacene

5-(2,3-dimethyl-3H-inden-1-yl)-8-phenyl-1,2,3,5-tetrahydro-s-indacene (PubChem CID 174222233) has the molecular formula C29H26 and a molecular weight of 374.53 g/mol. Its IUPAC name is 5-(2,3-dimethyl-3H-inden-1-yl)-8-phenyl-1,2,3,5-tetrahydro-s-indacene.

Molecular Properties

Compound Name5-(2,3-dimethyl-3H-inden-1-yl)-8-phenyl-1,2,3,5-tetrahydro-s-indacene
PubChem CID174222233
Molecular FormulaC29H26
Molecular Weight374.53 g/mol
Exact Mass374.20
IUPAC Name5-(2,3-dimethyl-3H-inden-1-yl)-8-phenyl-1,2,3,5-tetrahydro-s-indacene
SMILESCC1=C(C2C=Cc3c2cc2c(c3-c3ccccc3)CCC2)c2ccccc2C1C
InChIInChI=1S/C29H26/c1-18-19(2)28(24-13-7-6-12-22(18)24)25-15-16-26-27(25)17-21-11-8-14-23(21)29(26)20-9-4-3-5-10-20/h3-7,9-10,12-13,15-18,25H,8,11,14H2,1-2H3
InChIKeyNFQAPNDIVACBDG-UHFFFAOYSA-N
XLogP7.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.53
LogP ≤ 57.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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lithium 1-[dimethyl-(3-pentan-2-yl-1H-inden-1-yl)silyl]-4-phenyl-6,7-dihydro-5H-s-indacene-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dimethyl-3H-inden-1-yl)-8-phenyl-1,2,3,5-tetrahydro-s-indacene?
The IUPAC name of 5-(2,3-dimethyl-3H-inden-1-yl)-8-phenyl-1,2,3,5-tetrahydro-s-indacene (CID 174222233) is 5-(2,3-dimethyl-3H-inden-1-yl)-8-phenyl-1,2,3,5-tetrahydro-s-indacene.
What is the SMILES notation for 5-(2,3-dimethyl-3H-inden-1-yl)-8-phenyl-1,2,3,5-tetrahydro-s-indacene?
The canonical SMILES for 5-(2,3-dimethyl-3H-inden-1-yl)-8-phenyl-1,2,3,5-tetrahydro-s-indacene is CC1=C(C2C=Cc3c2cc2c(c3-c3ccccc3)CCC2)c2ccccc2C1C.
What is the InChIKey of 5-(2,3-dimethyl-3H-inden-1-yl)-8-phenyl-1,2,3,5-tetrahydro-s-indacene?
The InChIKey is NFQAPNDIVACBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26/c1-18-19(2)28(24-13-7-6-12-22(18)24)25-15-16-26-27(25)17-21-11-8-14-23(21)29(26)20-9-4-3-5-10-20/h3-7,9-10,12-13,15-18,25H,8,11,14H2,1-2H3.
What are the key properties of 5-(2,3-dimethyl-3H-inden-1-yl)-8-phenyl-1,2,3,5-tetrahydro-s-indacene?
5-(2,3-dimethyl-3H-inden-1-yl)-8-phenyl-1,2,3,5-tetrahydro-s-indacene has a molecular weight of 374.53 g/mol, XLogP of 7.54, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dimethyl-3H-inden-1-yl)-8-phenyl-1,2,3,5-tetrahydro-s-indacene is sourced from PubChem (CID 174222233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).