ethane;[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]phosphane;[4-(1H-indol-3-yl)piperidin-1-yl]phosphane;1-phosphanylpiperidin-4-one;3-piperidin-4-yl-1H-indole;3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole

C65H96N9OP3 — CID 157111569

IUPACethane;[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]phosphane;[4-(1H-indol-3-yl)piperidin-1-yl]phosphane;1-phosphanylpiperidin-4-one;3-piperidin-4-yl-1H-indole;3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
SMILESC1=C(c2c[nH]c3ccccc23)CCNC1.CC.CC.CC.CC.O=C1CCN(P)CC1.PN1CC=C(c2c[nH]c3ccccc23)CC1.PN1CCC(c2c[nH]c3ccccc23)CC1.c1ccc2c(C3CCNCC3)c[nH]c2c1
InChIInChI=1S/C13H17N2P.C13H15N2P.C13H16N2.C13H14N2.C5H10NOP.4C2H6/c2*16-15-7-5-10(6-8-15)12-9-14-13-4-2-1-3-11(12)13;2*1-2-4-13-11(3-1)12(9-15-13)10-5-7-14-8-6-10;7-5-1-3-6(8)4-2-5;4*1-2/h1-4,9-10,14H,5-8,16H2;1-5,9,14H,6-8,16H2;1-4,9-10,14-15H,5-8H2;1-5,9,14-15H,6-8H2;1-4,8H2;4*1-2H3
InChIKeyAGXLKFCXPILOOB-UHFFFAOYSA-N
MW1112.47 g/mol
LogP15.91
Rot. Bonds4

About ethane;[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]phosphane;[4-(1H-indol-3-yl)piperidin-1-yl]phosphane;1-phosphanylpiperidin-4-one;3-piperidin-4-yl-1H-indole;3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole

ethane;[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]phosphane;[4-(1H-indol-3-yl)piperidin-1-yl]phosphane;1-phosphanylpiperidin-4-one;3-piperidin-4-yl-1H-indole;3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole (PubChem CID 157111569) has the molecular formula C65H96N9OP3 and a molecular weight of 1112.47 g/mol. Its IUPAC name is ethane;[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]phosphane;[4-(1H-indol-3-yl)piperidin-1-yl]phosphane;1-phosphanylpiperidin-4-one;3-piperidin-4-yl-1H-indole;3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole.

Molecular Properties

Compound Nameethane;[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]phosphane;[4-(1H-indol-3-yl)piperidin-1-yl]phosphane;1-phosphanylpiperidin-4-one;3-piperidin-4-yl-1H-indole;3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
PubChem CID157111569
Molecular FormulaC65H96N9OP3
Molecular Weight1112.47 g/mol
Exact Mass1111.70
IUPAC Nameethane;[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]phosphane;[4-(1H-indol-3-yl)piperidin-1-yl]phosphane;1-phosphanylpiperidin-4-one;3-piperidin-4-yl-1H-indole;3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
SMILESC1=C(c2c[nH]c3ccccc23)CCNC1.CC.CC.CC.CC.O=C1CCN(P)CC1.PN1CC=C(c2c[nH]c3ccccc23)CC1.PN1CCC(c2c[nH]c3ccccc23)CC1.c1ccc2c(C3CCNCC3)c[nH]c2c1
InChIInChI=1S/C13H17N2P.C13H15N2P.C13H16N2.C13H14N2.C5H10NOP.4C2H6/c2*16-15-7-5-10(6-8-15)12-9-14-13-4-2-1-3-11(12)13;2*1-2-4-13-11(3-1)12(9-15-13)10-5-7-14-8-6-10;7-5-1-3-6(8)4-2-5;4*1-2/h1-4,9-10,14H,5-8,16H2;1-5,9,14H,6-8,16H2;1-4,9-10,14-15H,5-8H2;1-5,9,14-15H,6-8H2;1-4,8H2;4*1-2H3
InChIKeyAGXLKFCXPILOOB-UHFFFAOYSA-N
XLogP15.91
TPSA114.01 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms78
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001112.47
LogP ≤ 515.91
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze ethane;[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]phosphane;[4-(1H-indol-3-yl)piperidin-1-yl]phosphane;1-phosphanylpiperidin-4-one;3-piperidin-4-yl-1H-indole;3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole 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

1,4-Bis(di(1h-indol-3-yl)methyl)benzene
CID 15637613
3-[1-[[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]phenyl]methyl]piperidin-4-yl]-1H-indole
CID 122190650
(3E,5E)-3,5-bis(1H-indol-3-ylmethylidene)piperidin-4-one
CID 53330106
3-[[5-[bis(1H-indol-3-yl)methyl]-2-pyridinyl]-(1H-indol-3-yl)methyl]-1H-indole
CID 127035572
3-[[5-[bis(5-fluoro-1H-indol-3-yl)methyl]-2-pyridinyl]-(5-fluoro-1H-indol-3-yl)methyl]-5-fluoro-1H-indole
CID 127035573
3-[[6-[bis(5-fluoro-1H-indol-3-yl)methyl]-2-pyridinyl]-(5-fluoro-1H-indol-3-yl)methyl]-5-fluoro-1H-indole
CID 127035751
3-[[3-[bis(1H-indol-3-yl)methyl]phenyl]-(1H-indol-3-yl)methyl]-1H-indole
CID 57326685
3-[(5-amino-1H-indol-3-yl)-[4-[bis(5-amino-1H-indol-3-yl)methyl]phenyl]methyl]-1H-indol-5-amine
CID 57326885
3-[[6-[bis(5-cyano-1H-indol-3-yl)methyl]-3-pyridinyl]-(5-cyano-1H-indol-3-yl)methyl]-1H-indole-5-carbonitrile
CID 127034771
3-[[6-[bis(1H-indol-3-yl)methyl]-2-pyridinyl]-(1H-indol-3-yl)methyl]-1H-indole
CID 127035737
3-[[6-[bis(5-cyano-1H-indol-3-yl)methyl]-2-pyridinyl]-(5-cyano-1H-indol-3-yl)methyl]-1H-indole-5-carbonitrile
CID 127035944
(3R,5S)-1-Benzyl-3,5-bis-(1H-indol-3-ylmethyl)-piperidin-4-one
CID 44366345

Frequently Asked Questions

What is the IUPAC name of ethane;[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]phosphane;[4-(1H-indol-3-yl)piperidin-1-yl]phosphane;1-phosphanylpiperidin-4-one;3-piperidin-4-yl-1H-indole;3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole?
The IUPAC name of ethane;[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]phosphane;[4-(1H-indol-3-yl)piperidin-1-yl]phosphane;1-phosphanylpiperidin-4-one;3-piperidin-4-yl-1H-indole;3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole (CID 157111569) is ethane;[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]phosphane;[4-(1H-indol-3-yl)piperidin-1-yl]phosphane;1-phosphanylpiperidin-4-one;3-piperidin-4-yl-1H-indole;3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole.
What is the SMILES notation for ethane;[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]phosphane;[4-(1H-indol-3-yl)piperidin-1-yl]phosphane;1-phosphanylpiperidin-4-one;3-piperidin-4-yl-1H-indole;3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole?
The canonical SMILES for ethane;[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]phosphane;[4-(1H-indol-3-yl)piperidin-1-yl]phosphane;1-phosphanylpiperidin-4-one;3-piperidin-4-yl-1H-indole;3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole is C1=C(c2c[nH]c3ccccc23)CCNC1.CC.CC.CC.CC.O=C1CCN(P)CC1.PN1CC=C(c2c[nH]c3ccccc23)CC1.PN1CCC(c2c[nH]c3ccccc23)CC1.c1ccc2c(C3CCNCC3)c[nH]c2c1.
What is the InChIKey of ethane;[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]phosphane;[4-(1H-indol-3-yl)piperidin-1-yl]phosphane;1-phosphanylpiperidin-4-one;3-piperidin-4-yl-1H-indole;3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole?
The InChIKey is AGXLKFCXPILOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N2P.C13H15N2P.C13H16N2.C13H14N2.C5H10NOP.4C2H6/c2*16-15-7-5-10(6-8-15)12-9-14-13-4-2-1-3-11(12)13;2*1-2-4-13-11(3-1)12(9-15-13)10-5-7-14-8-6-10;7-5-1-3-6(8)4-2-5;4*1-2/h1-4,9-10,14H,5-8,16H2;1-5,9,14H,6-8,16H2;1-4,9-10,14-15H,5-8H2;1-5,9,14-15H,6-8H2;1-4,8H2;4*1-2H3.
What are the key properties of ethane;[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]phosphane;[4-(1H-indol-3-yl)piperidin-1-yl]phosphane;1-phosphanylpiperidin-4-one;3-piperidin-4-yl-1H-indole;3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole?
ethane;[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]phosphane;[4-(1H-indol-3-yl)piperidin-1-yl]phosphane;1-phosphanylpiperidin-4-one;3-piperidin-4-yl-1H-indole;3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole has a molecular weight of 1112.47 g/mol, XLogP of 15.91, 4 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]phosphane;[4-(1H-indol-3-yl)piperidin-1-yl]phosphane;1-phosphanylpiperidin-4-one;3-piperidin-4-yl-1H-indole;3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole is sourced from PubChem (CID 157111569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).