7-[6-[3-(5-tert-butyl-2-pyridinyl)phenyl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]-1H-indole

C42H45N3 — CID 140854213

IUPAC7-[6-[3-(5-tert-butyl-2-pyridinyl)phenyl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]-1H-indole
SMILESCC(C)(C)c1ccc(-c2cccc(-c3cc(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)cc(-c4cccc5cc[nH]c45)n3)c2)nc1
InChIInChI=1S/C42H45N3/c1-40(2,3)32-16-17-36(44-26-32)28-13-10-14-29(20-28)37-23-31(24-38(45-37)35-15-11-12-27-18-19-43-39(27)35)30-21-33(41(4,5)6)25-34(22-30)42(7,8)9/h10-26,43H,1-9H3
InChIKeyFHFBUDSCVWTNSL-UHFFFAOYSA-N
MW591.84 g/mol
LogP11.52
Rot. Bonds4

About 7-[6-[3-(5-tert-butyl-2-pyridinyl)phenyl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]-1H-indole

7-[6-[3-(5-tert-butyl-2-pyridinyl)phenyl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]-1H-indole (PubChem CID 140854213) has the molecular formula C42H45N3 and a molecular weight of 591.84 g/mol. Its IUPAC name is 7-[6-[3-(5-tert-butyl-2-pyridinyl)phenyl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]-1H-indole.

Molecular Properties

Compound Name7-[6-[3-(5-tert-butyl-2-pyridinyl)phenyl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]-1H-indole
PubChem CID140854213
Molecular FormulaC42H45N3
Molecular Weight591.84 g/mol
Exact Mass591.36
IUPAC Name7-[6-[3-(5-tert-butyl-2-pyridinyl)phenyl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]-1H-indole
SMILESCC(C)(C)c1ccc(-c2cccc(-c3cc(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)cc(-c4cccc5cc[nH]c45)n3)c2)nc1
InChIInChI=1S/C42H45N3/c1-40(2,3)32-16-17-36(44-26-32)28-13-10-14-29(20-28)37-23-31(24-38(45-37)35-15-11-12-27-18-19-43-39(27)35)30-21-33(41(4,5)6)25-34(22-30)42(7,8)9/h10-26,43H,1-9H3
InChIKeyFHFBUDSCVWTNSL-UHFFFAOYSA-N
XLogP11.52
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.84
LogP ≤ 511.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-[6-[3-(5-tert-butyl-2-pyridinyl)phenyl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]-1H-indole with MolForge

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Launch Full Analysis

Related Compounds

2,6-bis(3,5-ditert-butylphenyl)-4-[3-(3,5-ditert-butylphenyl)phenyl]pyridine
CID 158776807
2-[3-[4,6-bis[3-(3,5-ditert-butylphenyl)phenyl]-2-pyridinyl]phenyl]pyrazine
CID 164834142
2-[4-(3,5-ditert-butylphenyl)-6-[3-(4-methyl-2-pyridinyl)phenyl]-2-pyridinyl]phenol
CID 167332357
2-(3-tert-butylphenyl)-5-(trifluoromethyl)pyridine
CID 58432818
7-[6-[6-(1H-indol-7-yl)-2-pyridinyl]-2-pyridinyl]-1H-indole
CID 145302463
1-[4-tert-butyl-6-(3-tert-butylphenyl)-2-pyridinyl]-8-(4-tert-butyl-2-pyridinyl)-9H-carbazole
CID 140902425
2-[3-[4-(4-tert-butyl-2,6-dimethylphenyl)-6-phenyl-2-pyridinyl]phenyl]-4-(3,5-ditert-butylphenyl)-6-(2-methoxyphenyl)pyridine
CID 157181890
17,22-ditert-butyl-4,12,27-triphenyl-8,29,31-triazaheptacyclo[23.3.1.115,19.120,24.02,7.06,10.09,14]hentriaconta-1(28),2,4,6,9,11,13,15,17,19(31),20,22,24(30),25(29),26-pentadecaene
CID 140933024
2-[3-[4-(4-tert-butyl-2,6-dimethylphenyl)-2-pyridinyl]phenyl]-4-(3,5-ditert-butylphenyl)-6-(2-methoxyphenyl)pyridine
CID 159470077
N-[3-[4-(3,5-ditert-butylphenyl)-6-(3-phenyl-1H-indazol-7-yl)-2-pyridinyl]phenyl]-N-phenylpyridin-2-amine
CID 140854118
6-[3,6-ditert-butyl-8-[4-phenyl-6-(3-phenylphenyl)-2-pyridinyl]-9H-carbazol-1-yl]-4-phenylpyridine-3-carbonitrile
CID 140902238
2-[4-(3,5-ditert-butylphenyl)-6-[3-[4-(2-ethynylphenyl)-2-pyridinyl]phenyl]-2-pyridinyl]phenol
CID 165162060

Frequently Asked Questions

What is the IUPAC name of 7-[6-[3-(5-tert-butyl-2-pyridinyl)phenyl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]-1H-indole?
The IUPAC name of 7-[6-[3-(5-tert-butyl-2-pyridinyl)phenyl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]-1H-indole (CID 140854213) is 7-[6-[3-(5-tert-butyl-2-pyridinyl)phenyl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]-1H-indole.
What is the SMILES notation for 7-[6-[3-(5-tert-butyl-2-pyridinyl)phenyl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]-1H-indole?
The canonical SMILES for 7-[6-[3-(5-tert-butyl-2-pyridinyl)phenyl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]-1H-indole is CC(C)(C)c1ccc(-c2cccc(-c3cc(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)cc(-c4cccc5cc[nH]c45)n3)c2)nc1.
What is the InChIKey of 7-[6-[3-(5-tert-butyl-2-pyridinyl)phenyl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]-1H-indole?
The InChIKey is FHFBUDSCVWTNSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H45N3/c1-40(2,3)32-16-17-36(44-26-32)28-13-10-14-29(20-28)37-23-31(24-38(45-37)35-15-11-12-27-18-19-43-39(27)35)30-21-33(41(4,5)6)25-34(22-30)42(7,8)9/h10-26,43H,1-9H3.
What are the key properties of 7-[6-[3-(5-tert-butyl-2-pyridinyl)phenyl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]-1H-indole?
7-[6-[3-(5-tert-butyl-2-pyridinyl)phenyl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]-1H-indole has a molecular weight of 591.84 g/mol, XLogP of 11.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[6-[3-(5-tert-butyl-2-pyridinyl)phenyl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]-1H-indole is sourced from PubChem (CID 140854213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).