(3S)-1-tert-butyl-3,4,4-trimethyl-6-[3-methyl-4-[(3S)-3-methyl-1,4,4-triphenyl-3,3a-dihydro-1H-imidazo[1,5-a]indol-2-yl]phenyl]-2-(2-methylphenyl)-3,3a-dihydro-1H-imidazo[1,5-a]indole

C60H62N4 — CID 166958994

IUPAC(3S)-1-tert-butyl-3,4,4-trimethyl-6-[3-methyl-4-[(3S)-3-methyl-1,4,4-triphenyl-3,3a-dihydro-1H-imidazo[1,5-a]indol-2-yl]phenyl]-2-(2-methylphenyl)-3,3a-dihydro-1H-imidazo[1,5-a]indole
SMILESCc1cc(-c2ccc3c(c2)C(C)(C)C2[C@H](C)N(c4ccccc4C)C(C(C)(C)C)N32)ccc1N1C(c2ccccc2)N2c3ccccc3C(c3ccccc3)(c3ccccc3)C2[C@@H]1C
InChIInChI=1S/C60H62N4/c1-39-23-19-21-31-50(39)62-41(3)54-59(8,9)49-38-45(34-36-53(49)64(54)57(62)58(5,6)7)44-33-35-51(40(2)37-44)61-42(4)55-60(46-26-15-11-16-27-46,47-28-17-12-18-29-47)48-30-20-22-32-52(48)63(55)56(61)43-24-13-10-14-25-43/h10-38,41-42,54-57H,1-9H3/t41-,42-,54?,55?,56?,57?/m0/s1
InChIKeyBHJARCQSSQFMBV-SYHAYPLZSA-N
MW839.18 g/mol
LogP13.85
Rot. Bonds6

About (3S)-1-tert-butyl-3,4,4-trimethyl-6-[3-methyl-4-[(3S)-3-methyl-1,4,4-triphenyl-3,3a-dihydro-1H-imidazo[1,5-a]indol-2-yl]phenyl]-2-(2-methylphenyl)-3,3a-dihydro-1H-imidazo[1,5-a]indole

(3S)-1-tert-butyl-3,4,4-trimethyl-6-[3-methyl-4-[(3S)-3-methyl-1,4,4-triphenyl-3,3a-dihydro-1H-imidazo[1,5-a]indol-2-yl]phenyl]-2-(2-methylphenyl)-3,3a-dihydro-1H-imidazo[1,5-a]indole (PubChem CID 166958994) has the molecular formula C60H62N4 and a molecular weight of 839.18 g/mol. Its IUPAC name is (3S)-1-tert-butyl-3,4,4-trimethyl-6-[3-methyl-4-[(3S)-3-methyl-1,4,4-triphenyl-3,3a-dihydro-1H-imidazo[1,5-a]indol-2-yl]phenyl]-2-(2-methylphenyl)-3,3a-dihydro-1H-imidazo[1,5-a]indole.

Molecular Properties

Compound Name(3S)-1-tert-butyl-3,4,4-trimethyl-6-[3-methyl-4-[(3S)-3-methyl-1,4,4-triphenyl-3,3a-dihydro-1H-imidazo[1,5-a]indol-2-yl]phenyl]-2-(2-methylphenyl)-3,3a-dihydro-1H-imidazo[1,5-a]indole
PubChem CID166958994
Molecular FormulaC60H62N4
Molecular Weight839.18 g/mol
Exact Mass838.50
IUPAC Name(3S)-1-tert-butyl-3,4,4-trimethyl-6-[3-methyl-4-[(3S)-3-methyl-1,4,4-triphenyl-3,3a-dihydro-1H-imidazo[1,5-a]indol-2-yl]phenyl]-2-(2-methylphenyl)-3,3a-dihydro-1H-imidazo[1,5-a]indole
SMILESCc1cc(-c2ccc3c(c2)C(C)(C)C2[C@H](C)N(c4ccccc4C)C(C(C)(C)C)N32)ccc1N1C(c2ccccc2)N2c3ccccc3C(c3ccccc3)(c3ccccc3)C2[C@@H]1C
InChIInChI=1S/C60H62N4/c1-39-23-19-21-31-50(39)62-41(3)54-59(8,9)49-38-45(34-36-53(49)64(54)57(62)58(5,6)7)44-33-35-51(40(2)37-44)61-42(4)55-60(46-26-15-11-16-27-46,47-28-17-12-18-29-47)48-30-20-22-32-52(48)63(55)56(61)43-24-13-10-14-25-43/h10-38,41-42,54-57H,1-9H3/t41-,42-,54?,55?,56?,57?/m0/s1
InChIKeyBHJARCQSSQFMBV-SYHAYPLZSA-N
XLogP13.85
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500839.18
LogP ≤ 513.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3S)-1-tert-butyl-3,4,4-trimethyl-6-[3-methyl-4-[(3S)-3-methyl-1,4,4-triphenyl-3,3a-dihydro-1H-imidazo[1,5-a]indol-2-yl]phenyl]-2-(2-methylphenyl)-3,3a-dihydro-1H-imidazo[1,5-a]indole with MolForge

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Related Compounds

(3S)-1-tert-butyl-4,4-dicyclopentyl-3-methyl-2-(2-methylphenyl)-3,3a-dihydro-1H-imidazo[1,5-a]indole
CID 162706713
(3S)-3-methyl-2-(2-methylphenyl)-1-phenyl-3,3a-dihydro-1H-imidazo[5,1-b][1,3]benzoxazole
CID 166958977
(1S)-3-tert-butyl-5-cyclohexyl-1-methyl-2-(2-methylphenyl)-5-phenyl-3,9b-dihydro-1H-imidazo[5,1-a]isoindole
CID 162706662
(1S)-7,7-dicyclopentyl-1-methyl-2-(2-methylphenyl)-3-phenyl-3,7a-dihydro-1H-pyrrolo[1,2-c]imidazole
CID 162706310
(2S,3R)-2,3-dimethyl-1-(2-methylphenyl)aziridine
CID 118155644
(1S)-3-tert-butyl-5-cyclohexyl-1-methyl-2-(2-methylphenyl)-5-phenyl-3,7a-dihydro-1H-pyrrolo[1,2-c]imidazole
CID 162706326
(3S)-1,4-dicyclopentyl-3,4-dimethyl-2-(2-methylphenyl)-3,3a-dihydro-1H-imidazo[1,5-a]indole
CID 162706306
(1S)-1,3-dimethyl-2-(2-methylphenyl)-7,7-diphenyl-3,7a-dihydro-1H-pyrrolo[1,2-c]imidazole
CID 162706504
(3S)-1,4,4-tricyclopentyl-3-methyl-2-(2-methylphenyl)-3,3a-dihydro-1H-imidazo[1,5-a]indole
CID 162706557
(1S)-3-tert-butyl-5,5-dicyclohexyl-1-methyl-2-(2-methylphenyl)-3,7a-dihydro-1H-pyrrolo[1,2-c]imidazole
CID 162706102
(5S)-2-tert-butyl-5-methyl-1-(3-methyldibenzofuran-2-yl)-3-phenyl-4-propan-2-ylimidazolidine
CID 162706168
1-tert-butyl-2,3,3-trimethyl-2H-indole
CID 162296328

Frequently Asked Questions

What is the IUPAC name of (3S)-1-tert-butyl-3,4,4-trimethyl-6-[3-methyl-4-[(3S)-3-methyl-1,4,4-triphenyl-3,3a-dihydro-1H-imidazo[1,5-a]indol-2-yl]phenyl]-2-(2-methylphenyl)-3,3a-dihydro-1H-imidazo[1,5-a]indole?
The IUPAC name of (3S)-1-tert-butyl-3,4,4-trimethyl-6-[3-methyl-4-[(3S)-3-methyl-1,4,4-triphenyl-3,3a-dihydro-1H-imidazo[1,5-a]indol-2-yl]phenyl]-2-(2-methylphenyl)-3,3a-dihydro-1H-imidazo[1,5-a]indole (CID 166958994) is (3S)-1-tert-butyl-3,4,4-trimethyl-6-[3-methyl-4-[(3S)-3-methyl-1,4,4-triphenyl-3,3a-dihydro-1H-imidazo[1,5-a]indol-2-yl]phenyl]-2-(2-methylphenyl)-3,3a-dihydro-1H-imidazo[1,5-a]indole.
What is the SMILES notation for (3S)-1-tert-butyl-3,4,4-trimethyl-6-[3-methyl-4-[(3S)-3-methyl-1,4,4-triphenyl-3,3a-dihydro-1H-imidazo[1,5-a]indol-2-yl]phenyl]-2-(2-methylphenyl)-3,3a-dihydro-1H-imidazo[1,5-a]indole?
The canonical SMILES for (3S)-1-tert-butyl-3,4,4-trimethyl-6-[3-methyl-4-[(3S)-3-methyl-1,4,4-triphenyl-3,3a-dihydro-1H-imidazo[1,5-a]indol-2-yl]phenyl]-2-(2-methylphenyl)-3,3a-dihydro-1H-imidazo[1,5-a]indole is Cc1cc(-c2ccc3c(c2)C(C)(C)C2[C@H](C)N(c4ccccc4C)C(C(C)(C)C)N32)ccc1N1C(c2ccccc2)N2c3ccccc3C(c3ccccc3)(c3ccccc3)C2[C@@H]1C.
What is the InChIKey of (3S)-1-tert-butyl-3,4,4-trimethyl-6-[3-methyl-4-[(3S)-3-methyl-1,4,4-triphenyl-3,3a-dihydro-1H-imidazo[1,5-a]indol-2-yl]phenyl]-2-(2-methylphenyl)-3,3a-dihydro-1H-imidazo[1,5-a]indole?
The InChIKey is BHJARCQSSQFMBV-SYHAYPLZSA-N. The full InChI is InChI=1S/C60H62N4/c1-39-23-19-21-31-50(39)62-41(3)54-59(8,9)49-38-45(34-36-53(49)64(54)57(62)58(5,6)7)44-33-35-51(40(2)37-44)61-42(4)55-60(46-26-15-11-16-27-46,47-28-17-12-18-29-47)48-30-20-22-32-52(48)63(55)56(61)43-24-13-10-14-25-43/h10-38,41-42,54-57H,1-9H3/t41-,42-,54?,55?,56?,57?/m0/s1.
What are the key properties of (3S)-1-tert-butyl-3,4,4-trimethyl-6-[3-methyl-4-[(3S)-3-methyl-1,4,4-triphenyl-3,3a-dihydro-1H-imidazo[1,5-a]indol-2-yl]phenyl]-2-(2-methylphenyl)-3,3a-dihydro-1H-imidazo[1,5-a]indole?
(3S)-1-tert-butyl-3,4,4-trimethyl-6-[3-methyl-4-[(3S)-3-methyl-1,4,4-triphenyl-3,3a-dihydro-1H-imidazo[1,5-a]indol-2-yl]phenyl]-2-(2-methylphenyl)-3,3a-dihydro-1H-imidazo[1,5-a]indole has a molecular weight of 839.18 g/mol, XLogP of 13.85, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-tert-butyl-3,4,4-trimethyl-6-[3-methyl-4-[(3S)-3-methyl-1,4,4-triphenyl-3,3a-dihydro-1H-imidazo[1,5-a]indol-2-yl]phenyl]-2-(2-methylphenyl)-3,3a-dihydro-1H-imidazo[1,5-a]indole is sourced from PubChem (CID 166958994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).