1-phenyl-3-[2-[3-[2-(1-phenylindol-3-yl)propan-2-yl]phenyl]propan-2-yl]indole

C40H36N2 — CID 59307596

IUPAC1-phenyl-3-[2-[3-[2-(1-phenylindol-3-yl)propan-2-yl]phenyl]propan-2-yl]indole
SMILESCC(C)(c1cccc(C(C)(C)c2cn(-c3ccccc3)c3ccccc23)c1)c1cn(-c2ccccc2)c2ccccc12
InChIInChI=1S/C40H36N2/c1-39(2,35-27-41(31-18-7-5-8-19-31)37-24-13-11-22-33(35)37)29-16-15-17-30(26-29)40(3,4)36-28-42(32-20-9-6-10-21-32)38-25-14-12-23-34(36)38/h5-28H,1-4H3
InChIKeyVZGUCJRQJIGWRD-UHFFFAOYSA-N
MW544.74 g/mol
LogP10.23
Rot. Bonds6

About 1-phenyl-3-[2-[3-[2-(1-phenylindol-3-yl)propan-2-yl]phenyl]propan-2-yl]indole

1-phenyl-3-[2-[3-[2-(1-phenylindol-3-yl)propan-2-yl]phenyl]propan-2-yl]indole (PubChem CID 59307596) has the molecular formula C40H36N2 and a molecular weight of 544.74 g/mol. Its IUPAC name is 1-phenyl-3-[2-[3-[2-(1-phenylindol-3-yl)propan-2-yl]phenyl]propan-2-yl]indole.

Molecular Properties

Compound Name1-phenyl-3-[2-[3-[2-(1-phenylindol-3-yl)propan-2-yl]phenyl]propan-2-yl]indole
PubChem CID59307596
Molecular FormulaC40H36N2
Molecular Weight544.74 g/mol
Exact Mass544.29
IUPAC Name1-phenyl-3-[2-[3-[2-(1-phenylindol-3-yl)propan-2-yl]phenyl]propan-2-yl]indole
SMILESCC(C)(c1cccc(C(C)(C)c2cn(-c3ccccc3)c3ccccc23)c1)c1cn(-c2ccccc2)c2ccccc12
InChIInChI=1S/C40H36N2/c1-39(2,35-27-41(31-18-7-5-8-19-31)37-24-13-11-22-33(35)37)29-16-15-17-30(26-29)40(3,4)36-28-42(32-20-9-6-10-21-32)38-25-14-12-23-34(36)38/h5-28H,1-4H3
InChIKeyVZGUCJRQJIGWRD-UHFFFAOYSA-N
XLogP10.23
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.74
LogP ≤ 510.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methoxyphenyl)-3-[2-[1-(4-methoxyphenyl)indol-3-yl]propan-2-yl]indole
CID 59307597
4-[3-[2-[1-(4-cyanophenyl)indol-3-yl]propan-2-yl]indol-1-yl]benzonitrile
CID 70889128
1-(4-methoxyphenyl)-3-[2-[1-(4-methylphenyl)indol-3-yl]propan-2-yl]indole
CID 118371354
2-[1-(4-methylphenyl)indol-3-yl]propan-2-ol
CID 175094340
1-(2-methylphenyl)-3-[2-[1-(2-methylphenyl)indol-3-yl]propan-2-yl]indole
CID 59307646
4-[3-[2-[1-(4-isocyanophenyl)indol-3-yl]propan-2-yl]indol-1-yl]benzonitrile
CID 59307652
3-tert-butyl-1-[3-(3-tert-butyl-4,5-dihydroindol-1-yl)phenyl]indole
CID 71026412
2-[1-(3,5-dimethylphenyl)indol-3-yl]-1,1,1-trifluoropropan-2-ol
CID 69354935
1-phenyl-3-(trifluoromethylsulfonyl)indole
CID 71715571
methyl 1-[3-(trifluoromethyl)phenyl]indole-3-carboxylate
CID 24895075
2,6-bis(3-tert-butylindol-1-yl)benzonitrile;1-[2,4-dimethoxy-5-[3-(2-phenylpropan-2-yl)indol-1-yl]phenyl]-3-(2-phenylpropan-2-yl)indole;3-(2-phenylpropan-2-yl)-1-[3-[3-(2-phenylpropan-2-yl)indol-1-yl]-2-(trifluoromethyl)phenyl]indole
CID 160529727
1-tert-butyl-2-[2-(3-tert-butylphenyl)propan-2-yl]benzene
CID 101326652

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[2-[3-[2-(1-phenylindol-3-yl)propan-2-yl]phenyl]propan-2-yl]indole?
The IUPAC name of 1-phenyl-3-[2-[3-[2-(1-phenylindol-3-yl)propan-2-yl]phenyl]propan-2-yl]indole (CID 59307596) is 1-phenyl-3-[2-[3-[2-(1-phenylindol-3-yl)propan-2-yl]phenyl]propan-2-yl]indole.
What is the SMILES notation for 1-phenyl-3-[2-[3-[2-(1-phenylindol-3-yl)propan-2-yl]phenyl]propan-2-yl]indole?
The canonical SMILES for 1-phenyl-3-[2-[3-[2-(1-phenylindol-3-yl)propan-2-yl]phenyl]propan-2-yl]indole is CC(C)(c1cccc(C(C)(C)c2cn(-c3ccccc3)c3ccccc23)c1)c1cn(-c2ccccc2)c2ccccc12.
What is the InChIKey of 1-phenyl-3-[2-[3-[2-(1-phenylindol-3-yl)propan-2-yl]phenyl]propan-2-yl]indole?
The InChIKey is VZGUCJRQJIGWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H36N2/c1-39(2,35-27-41(31-18-7-5-8-19-31)37-24-13-11-22-33(35)37)29-16-15-17-30(26-29)40(3,4)36-28-42(32-20-9-6-10-21-32)38-25-14-12-23-34(36)38/h5-28H,1-4H3.
What are the key properties of 1-phenyl-3-[2-[3-[2-(1-phenylindol-3-yl)propan-2-yl]phenyl]propan-2-yl]indole?
1-phenyl-3-[2-[3-[2-(1-phenylindol-3-yl)propan-2-yl]phenyl]propan-2-yl]indole has a molecular weight of 544.74 g/mol, XLogP of 10.23, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[2-[3-[2-(1-phenylindol-3-yl)propan-2-yl]phenyl]propan-2-yl]indole is sourced from PubChem (CID 59307596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).