3-tert-butyl-1-[3-(3-tert-butyl-4,5-dihydroindol-1-yl)phenyl]indole

C30H34N2 — CID 71026412

IUPAC3-tert-butyl-1-[3-(3-tert-butyl-4,5-dihydroindol-1-yl)phenyl]indole
SMILESCC(C)(C)c1cn(-c2cccc(-n3cc(C(C)(C)C)c4ccccc43)c2)c2c1CCC=C2
InChIInChI=1S/C30H34N2/c1-29(2,3)25-19-31(27-16-9-7-14-23(25)27)21-12-11-13-22(18-21)32-20-26(30(4,5)6)24-15-8-10-17-28(24)32/h7,9-14,16-20H,8,15H2,1-6H3
InChIKeyNJPFQTPIHCWUFZ-UHFFFAOYSA-N
MW422.62 g/mol
LogP7.98
Rot. Bonds2

About 3-tert-butyl-1-[3-(3-tert-butyl-4,5-dihydroindol-1-yl)phenyl]indole

3-tert-butyl-1-[3-(3-tert-butyl-4,5-dihydroindol-1-yl)phenyl]indole (PubChem CID 71026412) has the molecular formula C30H34N2 and a molecular weight of 422.62 g/mol. Its IUPAC name is 3-tert-butyl-1-[3-(3-tert-butyl-4,5-dihydroindol-1-yl)phenyl]indole.

Molecular Properties

Compound Name3-tert-butyl-1-[3-(3-tert-butyl-4,5-dihydroindol-1-yl)phenyl]indole
PubChem CID71026412
Molecular FormulaC30H34N2
Molecular Weight422.62 g/mol
Exact Mass422.27
IUPAC Name3-tert-butyl-1-[3-(3-tert-butyl-4,5-dihydroindol-1-yl)phenyl]indole
SMILESCC(C)(C)c1cn(-c2cccc(-n3cc(C(C)(C)C)c4ccccc43)c2)c2c1CCC=C2
InChIInChI=1S/C30H34N2/c1-29(2,3)25-19-31(27-16-9-7-14-23(25)27)21-12-11-13-22(18-21)32-20-26(30(4,5)6)24-15-8-10-17-28(24)32/h7,9-14,16-20H,8,15H2,1-6H3
InChIKeyNJPFQTPIHCWUFZ-UHFFFAOYSA-N
XLogP7.98
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.62
LogP ≤ 57.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-[3-(3-tert-butyl-4,5-dihydroindol-1-yl)phenyl]indole?
The IUPAC name of 3-tert-butyl-1-[3-(3-tert-butyl-4,5-dihydroindol-1-yl)phenyl]indole (CID 71026412) is 3-tert-butyl-1-[3-(3-tert-butyl-4,5-dihydroindol-1-yl)phenyl]indole.
What is the SMILES notation for 3-tert-butyl-1-[3-(3-tert-butyl-4,5-dihydroindol-1-yl)phenyl]indole?
The canonical SMILES for 3-tert-butyl-1-[3-(3-tert-butyl-4,5-dihydroindol-1-yl)phenyl]indole is CC(C)(C)c1cn(-c2cccc(-n3cc(C(C)(C)C)c4ccccc43)c2)c2c1CCC=C2.
What is the InChIKey of 3-tert-butyl-1-[3-(3-tert-butyl-4,5-dihydroindol-1-yl)phenyl]indole?
The InChIKey is NJPFQTPIHCWUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N2/c1-29(2,3)25-19-31(27-16-9-7-14-23(25)27)21-12-11-13-22(18-21)32-20-26(30(4,5)6)24-15-8-10-17-28(24)32/h7,9-14,16-20H,8,15H2,1-6H3.
What are the key properties of 3-tert-butyl-1-[3-(3-tert-butyl-4,5-dihydroindol-1-yl)phenyl]indole?
3-tert-butyl-1-[3-(3-tert-butyl-4,5-dihydroindol-1-yl)phenyl]indole has a molecular weight of 422.62 g/mol, XLogP of 7.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-[3-(3-tert-butyl-4,5-dihydroindol-1-yl)phenyl]indole is sourced from PubChem (CID 71026412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).