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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Related Compounds

11,12-dimethyl-7,8-dihydroindolo[2,3-a]carbazole
CID 163716451
1-phenyl-3-[2-[3-[2-(1-phenylindol-3-yl)propan-2-yl]phenyl]propan-2-yl]indole
CID 59307596
6-tert-butyl-9-phenyl-3,4-dihydrocarbazole
CID 134351479
9-[4-[2-[4-[3-[(1Z,3Z)-penta-1,3-dienyl]indol-1-yl]phenyl]propan-2-yl]phenyl]-3,4-dihydrocarbazole
CID 89217850
5,11-bis(3-phenylphenyl)-7,8-dihydroindolo[3,2-b]carbazole
CID 123303994
9-[3-(1,3,5-triazin-2-yl)phenyl]-3,4-dihydrocarbazole
CID 175358566
5-(3-carbazol-9-ylphenyl)-11-[3-(12-phenyl-1,2-dihydroindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-b]carbazole
CID 88950410
6,9-dimethyl-3,4-dihydrocarbazole
CID 134550715
11-phenyl-12-[3-[3-(12-phenyl-7,8-dihydroindolo[2,3-a]carbazol-11-yl)-5-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-5-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[2,3-a]carbazole
CID 88912475
3,5-bis(3,4-dihydrocarbazol-9-yl)benzonitrile
CID 174292944
5-[3-[3-(8,9-dihydropyrido[3,2-b]indol-5-yl)phenyl]phenyl]pyrido[3,2-b]indole
CID 154556268
5-phenyl-12-[3-(5-phenyl-8,9-dihydroindolo[3,2-c]carbazol-12-yl)phenyl]indolo[3,2-c]carbazole
CID 134240198

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).