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

C107H110 — CID 159448369

IUPAC7-[[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
SMILESC1=CC2C(=C1)C(Cc1ccc(CCCc3cccc(C4C=CC=C4)c3)cc1)=CC=C2c1ccc2c(c1)CCC2.CC(C)C1CCC(c2ccc(CC3=CC=C(c4cccc5c4C=CC5)C4C=CC=C34)cc2)CC1.CCc1cccc(C2=CC=C(Cc3ccc(C4CCC(C5CCC5)CC4)cc3)C3=CC=CC32)c1
InChIInChI=1S/C39H36.C34H36.C34H38/c1-2-11-31(10-1)33-13-4-9-29(25-33)8-3-7-28-17-19-30(20-18-28)26-35-23-24-38(39-16-6-15-37(35)39)36-22-21-32-12-5-14-34(32)27-36;1-23(2)25-16-18-27(19-17-25)26-14-12-24(13-15-26)22-29-20-21-34(33-11-5-9-31(29)33)32-10-4-7-28-6-3-8-30(28)32;1-2-24-6-3-9-30(22-24)33-21-20-31(32-10-5-11-34(32)33)23-25-12-14-27(15-13-25)29-18-16-28(17-19-29)26-7-4-8-26/h1-2,4,6,9-11,13,15-25,27,31,39H,3,5,7-8,12,14,26H2;3-5,7-15,20-21,23,25,27,33H,6,16-19,22H2,1-2H3;3,5-6,9-15,20-22,26,28-29,34H,2,4,7-8,16-19,23H2,1H3
InChIKeyLTAYSQOSDSXNGO-UHFFFAOYSA-N
MW1396.06 g/mol
LogP27.10
Rot. Bonds19

About 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

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 (PubChem CID 159448369) has the molecular formula C107H110 and a molecular weight of 1396.06 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-[[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
PubChem CID159448369
Molecular FormulaC107H110
Molecular Weight1396.06 g/mol
Exact Mass1394.86
IUPAC Name7-[[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
SMILESC1=CC2C(=C1)C(Cc1ccc(CCCc3cccc(C4C=CC=C4)c3)cc1)=CC=C2c1ccc2c(c1)CCC2.CC(C)C1CCC(c2ccc(CC3=CC=C(c4cccc5c4C=CC5)C4C=CC=C34)cc2)CC1.CCc1cccc(C2=CC=C(Cc3ccc(C4CCC(C5CCC5)CC4)cc3)C3=CC=CC32)c1
InChIInChI=1S/C39H36.C34H36.C34H38/c1-2-11-31(10-1)33-13-4-9-29(25-33)8-3-7-28-17-19-30(20-18-28)26-35-23-24-38(39-16-6-15-37(35)39)36-22-21-32-12-5-14-34(32)27-36;1-23(2)25-16-18-27(19-17-25)26-14-12-24(13-15-26)22-29-20-21-34(33-11-5-9-31(29)33)32-10-4-7-28-6-3-8-30(28)32;1-2-24-6-3-9-30(22-24)33-21-20-31(32-10-5-11-34(32)33)23-25-12-14-27(15-13-25)29-18-16-28(17-19-29)26-7-4-8-26/h1-2,4,6,9-11,13,15-25,27,31,39H,3,5,7-8,12,14,26H2;3-5,7-15,20-21,23,25,27,33H,6,16-19,22H2,1-2H3;3,5-6,9-15,20-22,26,28-29,34H,2,4,7-8,16-19,23H2,1H3
InChIKeyLTAYSQOSDSXNGO-UHFFFAOYSA-N
XLogP27.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds19
Heavy Atoms107
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001396.06
LogP ≤ 527.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 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 with MolForge

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Related Compounds

4-(3-ethylphenyl)-7-[[4-(4-pentan-3-ylcyclohexyl)phenyl]methyl]-3aH-indene
CID 58046160
7-[(4-cyclohexylphenyl)methyl]-4-(2,3-dihydro-1H-inden-5-yl)-3aH-indene
CID 58046290
4-(4-ethylphenyl)-7-[[4-(4-pentan-3-ylcyclohexyl)phenyl]methyl]-3aH-indene
CID 58046266
4-(2,3-dihydro-1H-inden-5-yl)-7-[[4-[[4-(3-methylcyclohexyl)cyclohexyl]methyl]phenyl]methyl]-3aH-indene
CID 58046234
6-[[3-cyclohexyl-5-(1H-inden-4-yl)phenyl]methyl]-3-methylidene-2,4-dihydro-1H-naphthalene
CID 123146487
4-cyclohexa-1,5-dien-1-yl-7-[[4-(4-propylcyclohexyl)phenyl]methyl]-3aH-indene
CID 58046186
5-ethyl-2,3-dihydro-1H-indene;4-propan-2-yl-2,3-dihydro-1H-indene
CID 178128583
9-(3-ethylphenyl)-5-pentyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene
CID 58674129
4-cyclohexa-1,5-dien-1-yl-7-[[4-(3-cyclopentylpropyl)phenyl]methyl]-3aH-indene
CID 58046196
4-(3-butyl-5-butylsulfanylphenyl)-1H-indene
CID 144839633
1-(4-cyclohexylcyclohexyl)-4-propylbenzene
CID 57093507
N-[[3-(2,3-dihydro-1H-inden-5-yl)phenyl]methyl]cyclopropanamine
CID 61034448

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C1=CC2C(=C1)C(Cc1ccc(CCCc3cccc(C4C=CC=C4)c3)cc1)=CC=C2c1ccc2c(c1)CCC2.CC(C)C1CCC(c2ccc(CC3=CC=C(c4cccc5c4C=CC5)C4C=CC=C34)cc2)CC1.CCc1cccc(C2=CC=C(Cc3ccc(C4CCC(C5CCC5)CC4)cc3)C3=CC=CC32)c1.
What is the InChIKey of 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?
The InChIKey is LTAYSQOSDSXNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H36.C34H36.C34H38/c1-2-11-31(10-1)33-13-4-9-29(25-33)8-3-7-28-17-19-30(20-18-28)26-35-23-24-38(39-16-6-15-37(35)39)36-22-21-32-12-5-14-34(32)27-36;1-23(2)25-16-18-27(19-17-25)26-14-12-24(13-15-26)22-29-20-21-34(33-11-5-9-31(29)33)32-10-4-7-28-6-3-8-30(28)32;1-2-24-6-3-9-30(22-24)33-21-20-31(32-10-5-11-34(32)33)23-25-12-14-27(15-13-25)29-18-16-28(17-19-29)26-7-4-8-26/h1-2,4,6,9-11,13,15-25,27,31,39H,3,5,7-8,12,14,26H2;3-5,7-15,20-21,23,25,27,33H,6,16-19,22H2,1-2H3;3,5-6,9-15,20-22,26,28-29,34H,2,4,7-8,16-19,23H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 1396.06 g/mol, XLogP of 27.10, 19 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159448369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).