6-methyl-5-(2-methyl-8-phenyl-3,8-dihydroazulen-1-yl)-1,2,3,5-tetrahydro-s-indacene

C30H28 — CID 173176068

IUPAC6-methyl-5-(2-methyl-8-phenyl-3,8-dihydroazulen-1-yl)-1,2,3,5-tetrahydro-s-indacene
SMILESCC1=Cc2cc3c(cc2C1C1=C(C)CC2=C1C(c1ccccc1)C=CC=C2)CCC3
InChIInChI=1S/C30H28/c1-19-16-25-17-22-12-8-13-23(22)18-27(25)28(19)29-20(2)15-24-11-6-7-14-26(30(24)29)21-9-4-3-5-10-21/h3-7,9-11,14,16-18,26,28H,8,12-13,15H2,1-2H3
InChIKeyGHYKKQPQHUQIQU-UHFFFAOYSA-N
MW388.55 g/mol
LogP7.60
Rot. Bonds2

About 6-methyl-5-(2-methyl-8-phenyl-3,8-dihydroazulen-1-yl)-1,2,3,5-tetrahydro-s-indacene

6-methyl-5-(2-methyl-8-phenyl-3,8-dihydroazulen-1-yl)-1,2,3,5-tetrahydro-s-indacene (PubChem CID 173176068) has the molecular formula C30H28 and a molecular weight of 388.55 g/mol. Its IUPAC name is 6-methyl-5-(2-methyl-8-phenyl-3,8-dihydroazulen-1-yl)-1,2,3,5-tetrahydro-s-indacene.

Molecular Properties

Compound Name6-methyl-5-(2-methyl-8-phenyl-3,8-dihydroazulen-1-yl)-1,2,3,5-tetrahydro-s-indacene
PubChem CID173176068
Molecular FormulaC30H28
Molecular Weight388.55 g/mol
Exact Mass388.22
IUPAC Name6-methyl-5-(2-methyl-8-phenyl-3,8-dihydroazulen-1-yl)-1,2,3,5-tetrahydro-s-indacene
SMILESCC1=Cc2cc3c(cc2C1C1=C(C)CC2=C1C(c1ccccc1)C=CC=C2)CCC3
InChIInChI=1S/C30H28/c1-19-16-25-17-22-12-8-13-23(22)18-27(25)28(19)29-20(2)15-24-11-6-7-14-26(30(24)29)21-9-4-3-5-10-21/h3-7,9-11,14,16-18,26,28H,8,12-13,15H2,1-2H3
InChIKeyGHYKKQPQHUQIQU-UHFFFAOYSA-N
XLogP7.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.55
LogP ≤ 57.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 6-methyl-5-(2-methyl-8-phenyl-3,8-dihydroazulen-1-yl)-1,2,3,5-tetrahydro-s-indacene with MolForge

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Related Compounds

2,5-dimethyl-1-phenyl-1H-indene
CID 173186608
3-methyl-5,6,7,8-tetrahydro-3H-cyclopenta[b]naphthalene
CID 58581350
hafnium;3-methyl-5,6,7,8-tetrahydro-3H-cyclopenta[b]naphthalene
CID 175279350
cyclopenta-2,4-dien-1-yl-[dimethyl(1,5,6,7-tetrahydro-s-indacen-1-yl)-λ4-sulfanyl]-dimethyl-λ4-sulfane
CID 142593436
5-benzyl-1,2,3,5-tetrahydro-s-indacene;hafnium
CID 175279096
3-benzyl-5,6,7,8-tetrahydro-3H-cyclopenta[b]naphthalene;hafnium
CID 175279082
5-(2,3-dimethyl-3H-inden-1-yl)-8-phenyl-1,2,3,5-tetrahydro-s-indacene
CID 174222233
(1R,2S)-6,7-dimethyl-2-phenyl-1,2-dihydronaphthalen-1-amine
CID 132821699
5-cyclohexylidene-2,3-dimethyl-4-phenylcyclopent-2-en-1-one
CID 102142065
1-(5-phenylcyclopenta-1,3-dien-1-yl)phosphinane
CID 175338367
trichloro-[4-[2-(2-methyl-1H-inden-1-yl)-3H-inden-5-yl]butyl]silane
CID 173317726
benzene;1,2-dimethylcyclopentene;ethane
CID 164574417

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-(2-methyl-8-phenyl-3,8-dihydroazulen-1-yl)-1,2,3,5-tetrahydro-s-indacene?
The IUPAC name of 6-methyl-5-(2-methyl-8-phenyl-3,8-dihydroazulen-1-yl)-1,2,3,5-tetrahydro-s-indacene (CID 173176068) is 6-methyl-5-(2-methyl-8-phenyl-3,8-dihydroazulen-1-yl)-1,2,3,5-tetrahydro-s-indacene.
What is the SMILES notation for 6-methyl-5-(2-methyl-8-phenyl-3,8-dihydroazulen-1-yl)-1,2,3,5-tetrahydro-s-indacene?
The canonical SMILES for 6-methyl-5-(2-methyl-8-phenyl-3,8-dihydroazulen-1-yl)-1,2,3,5-tetrahydro-s-indacene is CC1=Cc2cc3c(cc2C1C1=C(C)CC2=C1C(c1ccccc1)C=CC=C2)CCC3.
What is the InChIKey of 6-methyl-5-(2-methyl-8-phenyl-3,8-dihydroazulen-1-yl)-1,2,3,5-tetrahydro-s-indacene?
The InChIKey is GHYKKQPQHUQIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28/c1-19-16-25-17-22-12-8-13-23(22)18-27(25)28(19)29-20(2)15-24-11-6-7-14-26(30(24)29)21-9-4-3-5-10-21/h3-7,9-11,14,16-18,26,28H,8,12-13,15H2,1-2H3.
What are the key properties of 6-methyl-5-(2-methyl-8-phenyl-3,8-dihydroazulen-1-yl)-1,2,3,5-tetrahydro-s-indacene?
6-methyl-5-(2-methyl-8-phenyl-3,8-dihydroazulen-1-yl)-1,2,3,5-tetrahydro-s-indacene has a molecular weight of 388.55 g/mol, XLogP of 7.60, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-(2-methyl-8-phenyl-3,8-dihydroazulen-1-yl)-1,2,3,5-tetrahydro-s-indacene is sourced from PubChem (CID 173176068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).