2-tert-butyl-1,3-diphenyl-4,5,6,7-tetrahydroindole

C24H27N — CID 10711446

IUPAC2-tert-butyl-1,3-diphenyl-4,5,6,7-tetrahydroindole
SMILESCC(C)(C)c1c(-c2ccccc2)c2c(n1-c1ccccc1)CCCC2
InChIInChI=1S/C24H27N/c1-24(2,3)23-22(18-12-6-4-7-13-18)20-16-10-11-17-21(20)25(23)19-14-8-5-9-15-19/h4-9,12-15H,10-11,16-17H2,1-3H3
InChIKeyPELPLROIBHTSMF-UHFFFAOYSA-N
MW329.49 g/mol
LogP6.32
Rot. Bonds2

About 2-tert-butyl-1,3-diphenyl-4,5,6,7-tetrahydroindole

2-tert-butyl-1,3-diphenyl-4,5,6,7-tetrahydroindole (PubChem CID 10711446) has the molecular formula C24H27N and a molecular weight of 329.49 g/mol. Its IUPAC name is 2-tert-butyl-1,3-diphenyl-4,5,6,7-tetrahydroindole.

Molecular Properties

Compound Name2-tert-butyl-1,3-diphenyl-4,5,6,7-tetrahydroindole
PubChem CID10711446
Molecular FormulaC24H27N
Molecular Weight329.49 g/mol
Exact Mass329.21
IUPAC Name2-tert-butyl-1,3-diphenyl-4,5,6,7-tetrahydroindole
SMILESCC(C)(C)c1c(-c2ccccc2)c2c(n1-c1ccccc1)CCCC2
InChIInChI=1S/C24H27N/c1-24(2,3)23-22(18-12-6-4-7-13-18)20-16-10-11-17-21(20)25(23)19-14-8-5-9-15-19/h4-9,12-15H,10-11,16-17H2,1-3H3
InChIKeyPELPLROIBHTSMF-UHFFFAOYSA-N
XLogP6.32
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.49
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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1-(4-methylphenyl)-2-phenyl-5,6,7,8-tetrahydroquinazoline-4-thione
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9-phenyl-5,6,7,8-tetrahydropyrido[2,3-b]indole
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11,12-bis(4-phenylphenyl)-7,8,9,10-tetrahydroindolo[2,3-a]carbazole
CID 90055071
3-acetyl-4-hydroxy-1-phenyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-one
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9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20)-heptaene
CID 90055339
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9-[3-(2-tert-butyl-3-phenylindol-1-yl)-5-phenylphenyl]carbazole
CID 144848681
11-(4,6-diphenyl-2-pyridinyl)-5-phenyl-7,8,9,10-tetrahydroindolo[3,2-b]carbazole
CID 90055114
3-tert-butyl-6-[4-[4-(2,6-ditert-butyl-10-phenylanthracen-9-yl)phenyl]phenyl]-9-phenylcarbazole;3-tert-butyl-6-[4-[4-[2,6-ditert-butyl-10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]phenyl]-9-phenylcarbazole
CID 161415057
9,39-ditert-butyl-13,35-diphenyl-13,22,26,35-tetrazatridecacyclo[24.16.1.15,16.02,25.04,23.06,14.07,12.017,21.027,31.032,43.034,42.036,41.022,44]tetratetraconta-1(43),2(25),3,5(44),6(14),7(12),8,10,15,17(21),23,27(31),32,34(42),36(41),37,39-heptadecaene
CID 162480423

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1,3-diphenyl-4,5,6,7-tetrahydroindole?
The IUPAC name of 2-tert-butyl-1,3-diphenyl-4,5,6,7-tetrahydroindole (CID 10711446) is 2-tert-butyl-1,3-diphenyl-4,5,6,7-tetrahydroindole.
What is the SMILES notation for 2-tert-butyl-1,3-diphenyl-4,5,6,7-tetrahydroindole?
The canonical SMILES for 2-tert-butyl-1,3-diphenyl-4,5,6,7-tetrahydroindole is CC(C)(C)c1c(-c2ccccc2)c2c(n1-c1ccccc1)CCCC2.
What is the InChIKey of 2-tert-butyl-1,3-diphenyl-4,5,6,7-tetrahydroindole?
The InChIKey is PELPLROIBHTSMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N/c1-24(2,3)23-22(18-12-6-4-7-13-18)20-16-10-11-17-21(20)25(23)19-14-8-5-9-15-19/h4-9,12-15H,10-11,16-17H2,1-3H3.
What are the key properties of 2-tert-butyl-1,3-diphenyl-4,5,6,7-tetrahydroindole?
2-tert-butyl-1,3-diphenyl-4,5,6,7-tetrahydroindole has a molecular weight of 329.49 g/mol, XLogP of 6.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1,3-diphenyl-4,5,6,7-tetrahydroindole is sourced from PubChem (CID 10711446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).