5-tert-butyl-2-ethyl-1-[(2-methylphenyl)methyl]-3-phenylindole

C28H31N — CID 129056104

IUPAC5-tert-butyl-2-ethyl-1-[(2-methylphenyl)methyl]-3-phenylindole
SMILESCCc1c(-c2ccccc2)c2cc(C(C)(C)C)ccc2n1Cc1ccccc1C
InChIInChI=1S/C28H31N/c1-6-25-27(21-13-8-7-9-14-21)24-18-23(28(3,4)5)16-17-26(24)29(25)19-22-15-11-10-12-20(22)2/h7-18H,6,19H2,1-5H3
InChIKeyISTLSJZRBHJNIH-UHFFFAOYSA-N
MW381.56 g/mol
LogP7.52
Rot. Bonds4

About 5-tert-butyl-2-ethyl-1-[(2-methylphenyl)methyl]-3-phenylindole

5-tert-butyl-2-ethyl-1-[(2-methylphenyl)methyl]-3-phenylindole (PubChem CID 129056104) has the molecular formula C28H31N and a molecular weight of 381.56 g/mol. Its IUPAC name is 5-tert-butyl-2-ethyl-1-[(2-methylphenyl)methyl]-3-phenylindole.

Molecular Properties

Compound Name5-tert-butyl-2-ethyl-1-[(2-methylphenyl)methyl]-3-phenylindole
PubChem CID129056104
Molecular FormulaC28H31N
Molecular Weight381.56 g/mol
Exact Mass381.25
IUPAC Name5-tert-butyl-2-ethyl-1-[(2-methylphenyl)methyl]-3-phenylindole
SMILESCCc1c(-c2ccccc2)c2cc(C(C)(C)C)ccc2n1Cc1ccccc1C
InChIInChI=1S/C28H31N/c1-6-25-27(21-13-8-7-9-14-21)24-18-23(28(3,4)5)16-17-26(24)29(25)19-22-15-11-10-12-20(22)2/h7-18H,6,19H2,1-5H3
InChIKeyISTLSJZRBHJNIH-UHFFFAOYSA-N
XLogP7.52
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.56
LogP ≤ 57.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-tert-butyl-6-[4-[4-[2,6-ditert-butyl-10-(4-phenylphenyl)anthracen-9-yl]phenyl]phenyl]-9-ethylcarbazole;3-tert-butyl-6-[4-[4-[2,6-ditert-butyl-10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]phenyl]-9-ethylcarbazole
CID 158234538
3-[4-[4-(2,6-ditert-butyl-10-phenylanthracen-9-yl)phenyl]phenyl]-9-ethyl-6-phenylcarbazole;3-[4-[4-[2,6-ditert-butyl-10-(4-phenylphenyl)anthracen-9-yl]phenyl]phenyl]-9-ethyl-6-phenylcarbazole
CID 159993393
[1-[(2-chlorophenyl)methyl]-3-phenyl-5-(trifluoromethyl)indol-2-yl]methanol
CID 140928472
2,8-ditert-butyl-6,12-bis(4-methylphenyl)-5,11-diphenyltetracene
CID 162426507
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
3,6-ditert-butyl-9-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazole
CID 59844594
2-(3-tert-butylphenyl)-1,3-diethylbenzene
CID 173336960
3,6-ditert-butyl-9-hexylcarbazole
CID 146671988
3,6-ditert-butyl-9-heptylcarbazole
CID 146635987
2-tert-butyl-9,10-bis(3-phenylphenyl)anthracene
CID 58672219
3-tert-butyl-6,9-diethylcarbazole
CID 143233690
2-[6-[4-[2,6-dimethyl-10-(4-phenylphenyl)anthracen-9-yl]phenyl]-9-ethylcarbazol-3-yl]-2-methylpropanenitrile
CID 163956469

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-ethyl-1-[(2-methylphenyl)methyl]-3-phenylindole?
The IUPAC name of 5-tert-butyl-2-ethyl-1-[(2-methylphenyl)methyl]-3-phenylindole (CID 129056104) is 5-tert-butyl-2-ethyl-1-[(2-methylphenyl)methyl]-3-phenylindole.
What is the SMILES notation for 5-tert-butyl-2-ethyl-1-[(2-methylphenyl)methyl]-3-phenylindole?
The canonical SMILES for 5-tert-butyl-2-ethyl-1-[(2-methylphenyl)methyl]-3-phenylindole is CCc1c(-c2ccccc2)c2cc(C(C)(C)C)ccc2n1Cc1ccccc1C.
What is the InChIKey of 5-tert-butyl-2-ethyl-1-[(2-methylphenyl)methyl]-3-phenylindole?
The InChIKey is ISTLSJZRBHJNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N/c1-6-25-27(21-13-8-7-9-14-21)24-18-23(28(3,4)5)16-17-26(24)29(25)19-22-15-11-10-12-20(22)2/h7-18H,6,19H2,1-5H3.
What are the key properties of 5-tert-butyl-2-ethyl-1-[(2-methylphenyl)methyl]-3-phenylindole?
5-tert-butyl-2-ethyl-1-[(2-methylphenyl)methyl]-3-phenylindole has a molecular weight of 381.56 g/mol, XLogP of 7.52, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-ethyl-1-[(2-methylphenyl)methyl]-3-phenylindole is sourced from PubChem (CID 129056104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).