ethane;3-[1-(4-methyl-4-phenylcyclohexyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indol-5-ol

C30H42N2O — CID 142894041

IUPACethane;3-[1-(4-methyl-4-phenylcyclohexyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indol-5-ol
SMILESCC.CC.CC1(c2ccccc2)CCC(N2CC=C(c3c[nH]c4ccc(O)cc34)CC2)CC1
InChIInChI=1S/C26H30N2O.2C2H6/c1-26(20-5-3-2-4-6-20)13-9-21(10-14-26)28-15-11-19(12-16-28)24-18-27-25-8-7-22(29)17-23(24)25;2*1-2/h2-8,11,17-18,21,27,29H,9-10,12-16H2,1H3;2*1-2H3
InChIKeyCEWBNAZXHNOSAZ-UHFFFAOYSA-N
MW446.68 g/mol
LogP7.92
Rot. Bonds3

About ethane;3-[1-(4-methyl-4-phenylcyclohexyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indol-5-ol

ethane;3-[1-(4-methyl-4-phenylcyclohexyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indol-5-ol (PubChem CID 142894041) has the molecular formula C30H42N2O and a molecular weight of 446.68 g/mol. Its IUPAC name is ethane;3-[1-(4-methyl-4-phenylcyclohexyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indol-5-ol.

Molecular Properties

Compound Nameethane;3-[1-(4-methyl-4-phenylcyclohexyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indol-5-ol
PubChem CID142894041
Molecular FormulaC30H42N2O
Molecular Weight446.68 g/mol
Exact Mass446.33
IUPAC Nameethane;3-[1-(4-methyl-4-phenylcyclohexyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indol-5-ol
SMILESCC.CC.CC1(c2ccccc2)CCC(N2CC=C(c3c[nH]c4ccc(O)cc34)CC2)CC1
InChIInChI=1S/C26H30N2O.2C2H6/c1-26(20-5-3-2-4-6-20)13-9-21(10-14-26)28-15-11-19(12-16-28)24-18-27-25-8-7-22(29)17-23(24)25;2*1-2/h2-8,11,17-18,21,27,29H,9-10,12-16H2,1H3;2*1-2H3
InChIKeyCEWBNAZXHNOSAZ-UHFFFAOYSA-N
XLogP7.92
TPSA39.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.68
LogP ≤ 57.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;3-[1-(4-methyl-4-phenylcyclohexyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indol-5-ol?
The IUPAC name of ethane;3-[1-(4-methyl-4-phenylcyclohexyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indol-5-ol (CID 142894041) is ethane;3-[1-(4-methyl-4-phenylcyclohexyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indol-5-ol.
What is the SMILES notation for ethane;3-[1-(4-methyl-4-phenylcyclohexyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indol-5-ol?
The canonical SMILES for ethane;3-[1-(4-methyl-4-phenylcyclohexyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indol-5-ol is CC.CC.CC1(c2ccccc2)CCC(N2CC=C(c3c[nH]c4ccc(O)cc34)CC2)CC1.
What is the InChIKey of ethane;3-[1-(4-methyl-4-phenylcyclohexyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indol-5-ol?
The InChIKey is CEWBNAZXHNOSAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O.2C2H6/c1-26(20-5-3-2-4-6-20)13-9-21(10-14-26)28-15-11-19(12-16-28)24-18-27-25-8-7-22(29)17-23(24)25;2*1-2/h2-8,11,17-18,21,27,29H,9-10,12-16H2,1H3;2*1-2H3.
What are the key properties of ethane;3-[1-(4-methyl-4-phenylcyclohexyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indol-5-ol?
ethane;3-[1-(4-methyl-4-phenylcyclohexyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indol-5-ol has a molecular weight of 446.68 g/mol, XLogP of 7.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[1-(4-methyl-4-phenylcyclohexyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indol-5-ol is sourced from PubChem (CID 142894041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).