3-[3-cyclohexyl-1-(1-phenylindol-3-yl)propyl]-1-phenylindole

C37H36N2 — CID 102450409

IUPAC3-[3-cyclohexyl-1-(1-phenylindol-3-yl)propyl]-1-phenylindole
SMILESc1ccc(-n2cc(C(CCC3CCCCC3)c3cn(-c4ccccc4)c4ccccc34)c3ccccc32)cc1
InChIInChI=1S/C37H36N2/c1-4-14-28(15-5-1)24-25-31(34-26-38(29-16-6-2-7-17-29)36-22-12-10-20-32(34)36)35-27-39(30-18-8-3-9-19-30)37-23-13-11-21-33(35)37/h2-3,6-13,16-23,26-28,31H,1,4-5,14-15,24-25H2
InChIKeyIQNAPMRGLXFSIE-UHFFFAOYSA-N
MW508.71 g/mol
LogP10.07
Rot. Bonds7

About 3-[3-cyclohexyl-1-(1-phenylindol-3-yl)propyl]-1-phenylindole

3-[3-cyclohexyl-1-(1-phenylindol-3-yl)propyl]-1-phenylindole (PubChem CID 102450409) has the molecular formula C37H36N2 and a molecular weight of 508.71 g/mol. Its IUPAC name is 3-[3-cyclohexyl-1-(1-phenylindol-3-yl)propyl]-1-phenylindole.

Molecular Properties

Compound Name3-[3-cyclohexyl-1-(1-phenylindol-3-yl)propyl]-1-phenylindole
PubChem CID102450409
Molecular FormulaC37H36N2
Molecular Weight508.71 g/mol
Exact Mass508.29
IUPAC Name3-[3-cyclohexyl-1-(1-phenylindol-3-yl)propyl]-1-phenylindole
SMILESc1ccc(-n2cc(C(CCC3CCCCC3)c3cn(-c4ccccc4)c4ccccc34)c3ccccc32)cc1
InChIInChI=1S/C37H36N2/c1-4-14-28(15-5-1)24-25-31(34-26-38(29-16-6-2-7-17-29)36-22-12-10-20-32(34)36)35-27-39(30-18-8-3-9-19-30)37-23-13-11-21-33(35)37/h2-3,6-13,16-23,26-28,31H,1,4-5,14-15,24-25H2
InChIKeyIQNAPMRGLXFSIE-UHFFFAOYSA-N
XLogP10.07
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.71
LogP ≤ 510.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[3-cyclohexyl-1-(1-phenylindol-3-yl)propyl]-1-phenylindole?
The IUPAC name of 3-[3-cyclohexyl-1-(1-phenylindol-3-yl)propyl]-1-phenylindole (CID 102450409) is 3-[3-cyclohexyl-1-(1-phenylindol-3-yl)propyl]-1-phenylindole.
What is the SMILES notation for 3-[3-cyclohexyl-1-(1-phenylindol-3-yl)propyl]-1-phenylindole?
The canonical SMILES for 3-[3-cyclohexyl-1-(1-phenylindol-3-yl)propyl]-1-phenylindole is c1ccc(-n2cc(C(CCC3CCCCC3)c3cn(-c4ccccc4)c4ccccc34)c3ccccc32)cc1.
What is the InChIKey of 3-[3-cyclohexyl-1-(1-phenylindol-3-yl)propyl]-1-phenylindole?
The InChIKey is IQNAPMRGLXFSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H36N2/c1-4-14-28(15-5-1)24-25-31(34-26-38(29-16-6-2-7-17-29)36-22-12-10-20-32(34)36)35-27-39(30-18-8-3-9-19-30)37-23-13-11-21-33(35)37/h2-3,6-13,16-23,26-28,31H,1,4-5,14-15,24-25H2.
What are the key properties of 3-[3-cyclohexyl-1-(1-phenylindol-3-yl)propyl]-1-phenylindole?
3-[3-cyclohexyl-1-(1-phenylindol-3-yl)propyl]-1-phenylindole has a molecular weight of 508.71 g/mol, XLogP of 10.07, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-cyclohexyl-1-(1-phenylindol-3-yl)propyl]-1-phenylindole is sourced from PubChem (CID 102450409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).