4-(3-ethylphenyl)-7-[[4-(4-pentan-3-ylcyclohexyl)phenyl]methyl]-3aH-indene

C35H42 — CID 58046160

IUPAC4-(3-ethylphenyl)-7-[[4-(4-pentan-3-ylcyclohexyl)phenyl]methyl]-3aH-indene
SMILESCCc1cccc(C2=CC=C(Cc3ccc(C4CCC(C(CC)CC)CC4)cc3)C3=CC=CC32)c1
InChIInChI=1S/C35H42/c1-4-25-9-7-10-31(23-25)34-22-21-32(33-11-8-12-35(33)34)24-26-13-15-29(16-14-26)30-19-17-28(18-20-30)27(5-2)6-3/h7-16,21-23,27-28,30,35H,4-6,17-20,24H2,1-3H3
InChIKeyDUNSNNGFEDNWLP-UHFFFAOYSA-N
MW462.72 g/mol
LogP9.64
Rot. Bonds8

About 4-(3-ethylphenyl)-7-[[4-(4-pentan-3-ylcyclohexyl)phenyl]methyl]-3aH-indene

4-(3-ethylphenyl)-7-[[4-(4-pentan-3-ylcyclohexyl)phenyl]methyl]-3aH-indene (PubChem CID 58046160) has the molecular formula C35H42 and a molecular weight of 462.72 g/mol. Its IUPAC name is 4-(3-ethylphenyl)-7-[[4-(4-pentan-3-ylcyclohexyl)phenyl]methyl]-3aH-indene.

Molecular Properties

Compound Name4-(3-ethylphenyl)-7-[[4-(4-pentan-3-ylcyclohexyl)phenyl]methyl]-3aH-indene
PubChem CID58046160
Molecular FormulaC35H42
Molecular Weight462.72 g/mol
Exact Mass462.33
IUPAC Name4-(3-ethylphenyl)-7-[[4-(4-pentan-3-ylcyclohexyl)phenyl]methyl]-3aH-indene
SMILESCCc1cccc(C2=CC=C(Cc3ccc(C4CCC(C(CC)CC)CC4)cc3)C3=CC=CC32)c1
InChIInChI=1S/C35H42/c1-4-25-9-7-10-31(23-25)34-22-21-32(33-11-8-12-35(33)34)24-26-13-15-29(16-14-26)30-19-17-28(18-20-30)27(5-2)6-3/h7-16,21-23,27-28,30,35H,4-6,17-20,24H2,1-3H3
InChIKeyDUNSNNGFEDNWLP-UHFFFAOYSA-N
XLogP9.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.72
LogP ≤ 59.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 4-(3-ethylphenyl)-7-[[4-(4-pentan-3-ylcyclohexyl)phenyl]methyl]-3aH-indene with MolForge

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Related Compounds

4-(4-ethylphenyl)-7-[[4-(4-pentan-3-ylcyclohexyl)phenyl]methyl]-3aH-indene
CID 58046266
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
4-cyclohexa-1,5-dien-1-yl-7-[[4-(4-propylcyclohexyl)phenyl]methyl]-3aH-indene
CID 58046186
1-cyclopropyl-4-ethylbenzene;ethane;methane
CID 176955448
cyclopropylbenzene;ethane;1-ethyl-3-methylbenzene
CID 142052943
1-ethyl-4-[4-[4-(2-methylbutyl)cyclohexyl]phenyl]benzene
CID 20538959
2-(4-cyclopropylphenyl)-4-ethyl-1-fluorobenzene
CID 167219024
cyclobutylbenzene;ethane;1-ethyl-3-methylbenzene
CID 142052735
1-ethyl-4-[4-(4-propylphenyl)cyclohexyl]benzene
CID 140788276
N-[(3-cyclopropylphenyl)methyl]-1-(4-ethylphenyl)methanamine
CID 106899392
CID 143725407
CID 143725407
2-ethyl-6-[4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]naphthalene
CID 139860723

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethylphenyl)-7-[[4-(4-pentan-3-ylcyclohexyl)phenyl]methyl]-3aH-indene?
The IUPAC name of 4-(3-ethylphenyl)-7-[[4-(4-pentan-3-ylcyclohexyl)phenyl]methyl]-3aH-indene (CID 58046160) is 4-(3-ethylphenyl)-7-[[4-(4-pentan-3-ylcyclohexyl)phenyl]methyl]-3aH-indene.
What is the SMILES notation for 4-(3-ethylphenyl)-7-[[4-(4-pentan-3-ylcyclohexyl)phenyl]methyl]-3aH-indene?
The canonical SMILES for 4-(3-ethylphenyl)-7-[[4-(4-pentan-3-ylcyclohexyl)phenyl]methyl]-3aH-indene is CCc1cccc(C2=CC=C(Cc3ccc(C4CCC(C(CC)CC)CC4)cc3)C3=CC=CC32)c1.
What is the InChIKey of 4-(3-ethylphenyl)-7-[[4-(4-pentan-3-ylcyclohexyl)phenyl]methyl]-3aH-indene?
The InChIKey is DUNSNNGFEDNWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H42/c1-4-25-9-7-10-31(23-25)34-22-21-32(33-11-8-12-35(33)34)24-26-13-15-29(16-14-26)30-19-17-28(18-20-30)27(5-2)6-3/h7-16,21-23,27-28,30,35H,4-6,17-20,24H2,1-3H3.
What are the key properties of 4-(3-ethylphenyl)-7-[[4-(4-pentan-3-ylcyclohexyl)phenyl]methyl]-3aH-indene?
4-(3-ethylphenyl)-7-[[4-(4-pentan-3-ylcyclohexyl)phenyl]methyl]-3aH-indene has a molecular weight of 462.72 g/mol, XLogP of 9.64, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethylphenyl)-7-[[4-(4-pentan-3-ylcyclohexyl)phenyl]methyl]-3aH-indene is sourced from PubChem (CID 58046160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).