2-tert-butyl-1-[4-(2-tert-butylindol-1-yl)-2-methylphenyl]indole

C31H34N2 — CID 59171906

IUPAC2-tert-butyl-1-[4-(2-tert-butylindol-1-yl)-2-methylphenyl]indole
SMILESCc1cc(-n2c(C(C)(C)C)cc3ccccc32)ccc1-n1c(C(C)(C)C)cc2ccccc21
InChIInChI=1S/C31H34N2/c1-21-18-24(32-26-14-10-8-12-22(26)19-28(32)30(2,3)4)16-17-25(21)33-27-15-11-9-13-23(27)20-29(33)31(5,6)7/h8-20H,1-7H3
InChIKeySNVBVVMPGINMOX-UHFFFAOYSA-N
MW434.63 g/mol
LogP8.48
Rot. Bonds2

About 2-tert-butyl-1-[4-(2-tert-butylindol-1-yl)-2-methylphenyl]indole

2-tert-butyl-1-[4-(2-tert-butylindol-1-yl)-2-methylphenyl]indole (PubChem CID 59171906) has the molecular formula C31H34N2 and a molecular weight of 434.63 g/mol. Its IUPAC name is 2-tert-butyl-1-[4-(2-tert-butylindol-1-yl)-2-methylphenyl]indole.

Molecular Properties

Compound Name2-tert-butyl-1-[4-(2-tert-butylindol-1-yl)-2-methylphenyl]indole
PubChem CID59171906
Molecular FormulaC31H34N2
Molecular Weight434.63 g/mol
Exact Mass434.27
IUPAC Name2-tert-butyl-1-[4-(2-tert-butylindol-1-yl)-2-methylphenyl]indole
SMILESCc1cc(-n2c(C(C)(C)C)cc3ccccc32)ccc1-n1c(C(C)(C)C)cc2ccccc21
InChIInChI=1S/C31H34N2/c1-21-18-24(32-26-14-10-8-12-22(26)19-28(32)30(2,3)4)16-17-25(21)33-27-15-11-9-13-23(27)20-29(33)31(5,6)7/h8-20H,1-7H3
InChIKeySNVBVVMPGINMOX-UHFFFAOYSA-N
XLogP8.48
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.63
LogP ≤ 58.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-tert-butyl-1-[4-(2-tert-butylindol-1-yl)-2-methylphenyl]indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3,5-bis(2-tert-butylindol-1-yl)phenyl]-triphenylsilane
CID 59236792
1-(4-tert-butylphenyl)-2-chloroindole
CID 91362505
CID 88965064
CID 88965064
1-[3-[3-[3-[3-[(1Z)-buta-1,3-dienyl]-5-tert-butyl-2-methylpyrrol-1-yl]phenyl]-5-[3-(2-tert-butylindol-1-yl)phenyl]phenyl]phenyl]-2-tert-butylindole
CID 130311274
2-tert-butyl-1-(methoxymethyl)indole
CID 25156356
1-[3-butan-2-yl-5-(2-tert-butylindol-1-yl)phenyl]-2-tert-butylindole;2-tert-butyl-1-[4-(2-tert-butylindol-1-yl)-2,5-dimethylphenyl]indole;2-tert-butyl-1-[4-(2-tert-butyl-5-methylindol-1-yl)phenyl]-5-methylindole;2-tert-butyl-1-(4-tert-butylphenyl)indole;2-tert-butyl-1-(2,3,4,5-tetraphenylphenyl)indole
CID 159212173
3-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methylphenyl]carbazole
CID 130352928
1-(2-methylphenyl)indole-2-carbonitrile
CID 174595640
9-[4-[4-[4-[4-(4-carbazol-9-yl-3-methylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 59742225
1,2-bis(4-methylphenyl)indole
CID 151814608
1-(4-bromophenyl)-2-methylindole
CID 22951419
ditert-butyl-(1-phenylindol-2-yl)phosphane
CID 11175133

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-[4-(2-tert-butylindol-1-yl)-2-methylphenyl]indole?
The IUPAC name of 2-tert-butyl-1-[4-(2-tert-butylindol-1-yl)-2-methylphenyl]indole (CID 59171906) is 2-tert-butyl-1-[4-(2-tert-butylindol-1-yl)-2-methylphenyl]indole.
What is the SMILES notation for 2-tert-butyl-1-[4-(2-tert-butylindol-1-yl)-2-methylphenyl]indole?
The canonical SMILES for 2-tert-butyl-1-[4-(2-tert-butylindol-1-yl)-2-methylphenyl]indole is Cc1cc(-n2c(C(C)(C)C)cc3ccccc32)ccc1-n1c(C(C)(C)C)cc2ccccc21.
What is the InChIKey of 2-tert-butyl-1-[4-(2-tert-butylindol-1-yl)-2-methylphenyl]indole?
The InChIKey is SNVBVVMPGINMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N2/c1-21-18-24(32-26-14-10-8-12-22(26)19-28(32)30(2,3)4)16-17-25(21)33-27-15-11-9-13-23(27)20-29(33)31(5,6)7/h8-20H,1-7H3.
What are the key properties of 2-tert-butyl-1-[4-(2-tert-butylindol-1-yl)-2-methylphenyl]indole?
2-tert-butyl-1-[4-(2-tert-butylindol-1-yl)-2-methylphenyl]indole has a molecular weight of 434.63 g/mol, XLogP of 8.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-[4-(2-tert-butylindol-1-yl)-2-methylphenyl]indole is sourced from PubChem (CID 59171906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).