4-(2,3-dihydro-1H-inden-5-yl)-7-[[4-[[4-(3-methylcyclohexyl)cyclohexyl]methyl]phenyl]methyl]-3aH-indene

C39H46 — CID 58046234

IUPAC4-(2,3-dihydro-1H-inden-5-yl)-7-[[4-[[4-(3-methylcyclohexyl)cyclohexyl]methyl]phenyl]methyl]-3aH-indene
SMILESCC1CCCC(C2CCC(Cc3ccc(CC4=CC=C(c5ccc6c(c5)CCC6)C5C=CC=C45)cc3)CC2)C1
InChIInChI=1S/C39H46/c1-27-5-2-7-33(23-27)32-17-15-29(16-18-32)24-28-11-13-30(14-12-28)25-35-21-22-38(39-10-4-9-37(35)39)36-20-19-31-6-3-8-34(31)26-36/h4,9-14,19-22,26-27,29,32-33,39H,2-3,5-8,15-18,23-25H2,1H3
InChIKeyDNWDUZDASFOMOJ-UHFFFAOYSA-N
MW514.80 g/mol
LogP10.03
Rot. Bonds6

About 4-(2,3-dihydro-1H-inden-5-yl)-7-[[4-[[4-(3-methylcyclohexyl)cyclohexyl]methyl]phenyl]methyl]-3aH-indene

4-(2,3-dihydro-1H-inden-5-yl)-7-[[4-[[4-(3-methylcyclohexyl)cyclohexyl]methyl]phenyl]methyl]-3aH-indene (PubChem CID 58046234) has the molecular formula C39H46 and a molecular weight of 514.80 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-inden-5-yl)-7-[[4-[[4-(3-methylcyclohexyl)cyclohexyl]methyl]phenyl]methyl]-3aH-indene.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-inden-5-yl)-7-[[4-[[4-(3-methylcyclohexyl)cyclohexyl]methyl]phenyl]methyl]-3aH-indene
PubChem CID58046234
Molecular FormulaC39H46
Molecular Weight514.80 g/mol
Exact Mass514.36
IUPAC Name4-(2,3-dihydro-1H-inden-5-yl)-7-[[4-[[4-(3-methylcyclohexyl)cyclohexyl]methyl]phenyl]methyl]-3aH-indene
SMILESCC1CCCC(C2CCC(Cc3ccc(CC4=CC=C(c5ccc6c(c5)CCC6)C5C=CC=C45)cc3)CC2)C1
InChIInChI=1S/C39H46/c1-27-5-2-7-33(23-27)32-17-15-29(16-18-32)24-28-11-13-30(14-12-28)25-35-21-22-38(39-10-4-9-37(35)39)36-20-19-31-6-3-8-34(31)26-36/h4,9-14,19-22,26-27,29,32-33,39H,2-3,5-8,15-18,23-25H2,1H3
InChIKeyDNWDUZDASFOMOJ-UHFFFAOYSA-N
XLogP10.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.80
LogP ≤ 510.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 4-(2,3-dihydro-1H-inden-5-yl)-7-[[4-[[4-(3-methylcyclohexyl)cyclohexyl]methyl]phenyl]methyl]-3aH-indene 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

7-[(4-cyclohexylphenyl)methyl]-4-(2,3-dihydro-1H-inden-5-yl)-3aH-indene
CID 58046290
7-[[4-(4-cyclobutylcyclohexyl)phenyl]methyl]-4-(3-ethylphenyl)-3aH-indene;7-[[4-[3-(3-cyclopenta-2,4-dien-1-ylphenyl)propyl]phenyl]methyl]-4-(2,3-dihydro-1H-inden-5-yl)-3aH-indene;4-(1H-inden-4-yl)-7-[[4-(4-propan-2-ylcyclohexyl)phenyl]methyl]-3aH-indene
CID 159448369
2-[[4-[(7-cyclohexa-1,5-dien-1-yl-7aH-inden-4-yl)methyl]phenyl]methyl]-1,2,3,4-tetrahydronaphthalene
CID 58046137
5-(2,3-dihydro-1H-inden-5-ylmethyl)-2-methylpiperidine
CID 106779365
N-[4-(cyclopropylmethyl)phenyl]-N-methyl-2,3-dihydro-1H-inden-5-amine
CID 155314010
2-methyl-6-[2-(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 143677144
(2S)-2-methyl-6-[(4-methylcyclohexyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 143761484
4-(3-ethylphenyl)-7-[[4-(4-pentan-3-ylcyclohexyl)phenyl]methyl]-3aH-indene
CID 58046160
hydron;1-[(3-methylcyclopentyl)methyl]-4-phenylbenzene
CID 175255375
4-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)piperidine
CID 23294446
1-[2-(2,3-dihydro-1H-inden-5-ylmethyl)-4-ethylcyclohexyl]-N-methylmethanamine
CID 81033022
2-(2,3-dihydro-1H-inden-5-ylmethyl)-5-methylpiperidine
CID 106779340

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-inden-5-yl)-7-[[4-[[4-(3-methylcyclohexyl)cyclohexyl]methyl]phenyl]methyl]-3aH-indene?
The IUPAC name of 4-(2,3-dihydro-1H-inden-5-yl)-7-[[4-[[4-(3-methylcyclohexyl)cyclohexyl]methyl]phenyl]methyl]-3aH-indene (CID 58046234) is 4-(2,3-dihydro-1H-inden-5-yl)-7-[[4-[[4-(3-methylcyclohexyl)cyclohexyl]methyl]phenyl]methyl]-3aH-indene.
What is the SMILES notation for 4-(2,3-dihydro-1H-inden-5-yl)-7-[[4-[[4-(3-methylcyclohexyl)cyclohexyl]methyl]phenyl]methyl]-3aH-indene?
The canonical SMILES for 4-(2,3-dihydro-1H-inden-5-yl)-7-[[4-[[4-(3-methylcyclohexyl)cyclohexyl]methyl]phenyl]methyl]-3aH-indene is CC1CCCC(C2CCC(Cc3ccc(CC4=CC=C(c5ccc6c(c5)CCC6)C5C=CC=C45)cc3)CC2)C1.
What is the InChIKey of 4-(2,3-dihydro-1H-inden-5-yl)-7-[[4-[[4-(3-methylcyclohexyl)cyclohexyl]methyl]phenyl]methyl]-3aH-indene?
The InChIKey is DNWDUZDASFOMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H46/c1-27-5-2-7-33(23-27)32-17-15-29(16-18-32)24-28-11-13-30(14-12-28)25-35-21-22-38(39-10-4-9-37(35)39)36-20-19-31-6-3-8-34(31)26-36/h4,9-14,19-22,26-27,29,32-33,39H,2-3,5-8,15-18,23-25H2,1H3.
What are the key properties of 4-(2,3-dihydro-1H-inden-5-yl)-7-[[4-[[4-(3-methylcyclohexyl)cyclohexyl]methyl]phenyl]methyl]-3aH-indene?
4-(2,3-dihydro-1H-inden-5-yl)-7-[[4-[[4-(3-methylcyclohexyl)cyclohexyl]methyl]phenyl]methyl]-3aH-indene has a molecular weight of 514.80 g/mol, XLogP of 10.03, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-inden-5-yl)-7-[[4-[[4-(3-methylcyclohexyl)cyclohexyl]methyl]phenyl]methyl]-3aH-indene is sourced from PubChem (CID 58046234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).