ethane;2-[3-[4-(2-methylpropyl)cyclohexyl]phenyl]-3H-indole

C26H35N — CID 143815957

IUPACethane;2-[3-[4-(2-methylpropyl)cyclohexyl]phenyl]-3H-indole
SMILESCC.CC(C)CC1CCC(c2cccc(C3=Nc4ccccc4C3)c2)CC1
InChIInChI=1S/C24H29N.C2H6/c1-17(2)14-18-10-12-19(13-11-18)20-7-5-8-21(15-20)24-16-22-6-3-4-9-23(22)25-24;1-2/h3-9,15,17-19H,10-14,16H2,1-2H3;1-2H3
InChIKeySNIMCKBWDXPENM-UHFFFAOYSA-N
MW361.57 g/mol
LogP7.71
Rot. Bonds4

About ethane;2-[3-[4-(2-methylpropyl)cyclohexyl]phenyl]-3H-indole

ethane;2-[3-[4-(2-methylpropyl)cyclohexyl]phenyl]-3H-indole (PubChem CID 143815957) has the molecular formula C26H35N and a molecular weight of 361.57 g/mol. Its IUPAC name is ethane;2-[3-[4-(2-methylpropyl)cyclohexyl]phenyl]-3H-indole.

Molecular Properties

Compound Nameethane;2-[3-[4-(2-methylpropyl)cyclohexyl]phenyl]-3H-indole
PubChem CID143815957
Molecular FormulaC26H35N
Molecular Weight361.57 g/mol
Exact Mass361.28
IUPAC Nameethane;2-[3-[4-(2-methylpropyl)cyclohexyl]phenyl]-3H-indole
SMILESCC.CC(C)CC1CCC(c2cccc(C3=Nc4ccccc4C3)c2)CC1
InChIInChI=1S/C24H29N.C2H6/c1-17(2)14-18-10-12-19(13-11-18)20-7-5-8-21(15-20)24-16-22-6-3-4-9-23(22)25-24;1-2/h3-9,15,17-19H,10-14,16H2,1-2H3;1-2H3
InChIKeySNIMCKBWDXPENM-UHFFFAOYSA-N
XLogP7.71
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.57
LogP ≤ 57.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;2-[3-[4-(2-methylpropyl)cyclohexyl]phenyl]-3H-indole?
The IUPAC name of ethane;2-[3-[4-(2-methylpropyl)cyclohexyl]phenyl]-3H-indole (CID 143815957) is ethane;2-[3-[4-(2-methylpropyl)cyclohexyl]phenyl]-3H-indole.
What is the SMILES notation for ethane;2-[3-[4-(2-methylpropyl)cyclohexyl]phenyl]-3H-indole?
The canonical SMILES for ethane;2-[3-[4-(2-methylpropyl)cyclohexyl]phenyl]-3H-indole is CC.CC(C)CC1CCC(c2cccc(C3=Nc4ccccc4C3)c2)CC1.
What is the InChIKey of ethane;2-[3-[4-(2-methylpropyl)cyclohexyl]phenyl]-3H-indole?
The InChIKey is SNIMCKBWDXPENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N.C2H6/c1-17(2)14-18-10-12-19(13-11-18)20-7-5-8-21(15-20)24-16-22-6-3-4-9-23(22)25-24;1-2/h3-9,15,17-19H,10-14,16H2,1-2H3;1-2H3.
What are the key properties of ethane;2-[3-[4-(2-methylpropyl)cyclohexyl]phenyl]-3H-indole?
ethane;2-[3-[4-(2-methylpropyl)cyclohexyl]phenyl]-3H-indole has a molecular weight of 361.57 g/mol, XLogP of 7.71, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[3-[4-(2-methylpropyl)cyclohexyl]phenyl]-3H-indole is sourced from PubChem (CID 143815957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).