(3aS)-8b-[(3aS,8bR)-2,3,3a,4-tetrahydro-1H-cyclopenta[a]inden-8b-yl]-5-[(3aR,8bR)-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl]-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indole

C34H38N4 — CID 158266146

IUPAC(3aS)-8b-[(3aS,8bR)-2,3,3a,4-tetrahydro-1H-cyclopenta[a]inden-8b-yl]-5-[(3aR,8bR)-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl]-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indole
SMILESCN1CC[C@]2(c3cccc4c3N[C@H]3N(C)CCC43[C@]34CCC[C@H]3Cc3ccccc34)c3ccccc3N[C@H]12
InChIInChI=1S/C34H38N4/c1-37-19-17-32(25-12-5-6-15-28(25)35-30(32)37)26-13-7-14-27-29(26)36-31-34(27,18-20-38(31)2)33-16-8-10-23(33)21-22-9-3-4-11-24(22)33/h3-7,9,11-15,23,30-31,35-36H,8,10,16-21H2,1-2H3/t23-,30+,31-,32+,33+,34?/m0/s1
InChIKeyBSSWPZQQSYPBGO-URBZABEOSA-N
MW502.71 g/mol
LogP5.68
Rot. Bonds2

About (3aS)-8b-[(3aS,8bR)-2,3,3a,4-tetrahydro-1H-cyclopenta[a]inden-8b-yl]-5-[(3aR,8bR)-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl]-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indole

(3aS)-8b-[(3aS,8bR)-2,3,3a,4-tetrahydro-1H-cyclopenta[a]inden-8b-yl]-5-[(3aR,8bR)-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl]-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indole (PubChem CID 158266146) has the molecular formula C34H38N4 and a molecular weight of 502.71 g/mol. Its IUPAC name is (3aS)-8b-[(3aS,8bR)-2,3,3a,4-tetrahydro-1H-cyclopenta[a]inden-8b-yl]-5-[(3aR,8bR)-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl]-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indole.

Molecular Properties

Compound Name(3aS)-8b-[(3aS,8bR)-2,3,3a,4-tetrahydro-1H-cyclopenta[a]inden-8b-yl]-5-[(3aR,8bR)-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl]-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indole
PubChem CID158266146
Molecular FormulaC34H38N4
Molecular Weight502.71 g/mol
Exact Mass502.31
IUPAC Name(3aS)-8b-[(3aS,8bR)-2,3,3a,4-tetrahydro-1H-cyclopenta[a]inden-8b-yl]-5-[(3aR,8bR)-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl]-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indole
SMILESCN1CC[C@]2(c3cccc4c3N[C@H]3N(C)CCC43[C@]34CCC[C@H]3Cc3ccccc34)c3ccccc3N[C@H]12
InChIInChI=1S/C34H38N4/c1-37-19-17-32(25-12-5-6-15-28(25)35-30(32)37)26-13-7-14-27-29(26)36-31-34(27,18-20-38(31)2)33-16-8-10-23(33)21-22-9-3-4-11-24(22)33/h3-7,9,11-15,23,30-31,35-36H,8,10,16-21H2,1-2H3/t23-,30+,31-,32+,33+,34?/m0/s1
InChIKeyBSSWPZQQSYPBGO-URBZABEOSA-N
XLogP5.68
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.71
LogP ≤ 55.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3aS)-8b-[(3aS,8bR)-2,3,3a,4-tetrahydro-1H-cyclopenta[a]inden-8b-yl]-5-[(3aR,8bR)-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl]-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indole with MolForge

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Related Compounds

(3aR,8bR)-8b-[(3aR,8bR)-5-[(3aS,8bS)-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl]-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl]-5-[(3aS,8bS)-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl]-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indole
CID 132602258
(3aR,8bR)-5-[(3aR,8bR)-5-[(3aS,8bS)-5-[(3aR,8bR)-5-[(3aR,8bR)-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl]-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl]-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl]-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl]-8b-[(3aR,8bR)-5-[(3aS,8bS)-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl]-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl]-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indole
CID 162916295
(3aS,8bS)-5-[(3aS,8bS)-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl]-8b-[(3aR,8bR)-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl]-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indole
CID 23650594
(3aR,8bR)-5-[(3aR,8bR)-5-[(3aS,8bS)-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl]-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl]-8b-[(3aS,8bS)-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl]-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indole
CID 162901349
5-[(3aR,8bR)-2,3,3a,4-tetrahydro-1H-cyclopenta[b]indol-8b-yl]-14-[(3aR,8bR)-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl]-21,24-dimethyl-3,12,21,24-tetrazahexacyclo[9.7.3.32,10.01,10.04,9.013,18]tetracosa-4,6,8,13,15,17-hexaene
CID 138569593
(3aR,8bS)-8b-[(3aS,8bR)-8b-[(3aS,8bR)-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl]-3-methyl-1,2,3a,4-tetrahydroindeno[2,1-b]pyrrol-5-yl]-5-[(3aR,8bR)-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl]-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indole
CID 134962076
(8bS)-8b-[(8bR)-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-b]indol-8b-yl]-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indole
CID 100973102
pentacyclo[11.7.0.01,9.02,7.015,20]icosa-2,4,6,15,17,19-hexaene
CID 102574244
(E)-4-[(3aS,8bS)-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl]-2-methylbut-2-en-1-ol
CID 5326051
[(8bR)-3,8b-dimethyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-7-yl]-phenylcarbamic acid
CID 118599412
methyl 4-[(3aS,8bS)-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl]-2-methylbut-2-enoate
CID 162970765
(15R)-pentacyclo[13.7.0.01,9.02,7.017,22]docosa-2,4,6,17,19,21-hexaene
CID 171404171

Frequently Asked Questions

What is the IUPAC name of (3aS)-8b-[(3aS,8bR)-2,3,3a,4-tetrahydro-1H-cyclopenta[a]inden-8b-yl]-5-[(3aR,8bR)-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl]-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indole?
The IUPAC name of (3aS)-8b-[(3aS,8bR)-2,3,3a,4-tetrahydro-1H-cyclopenta[a]inden-8b-yl]-5-[(3aR,8bR)-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl]-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indole (CID 158266146) is (3aS)-8b-[(3aS,8bR)-2,3,3a,4-tetrahydro-1H-cyclopenta[a]inden-8b-yl]-5-[(3aR,8bR)-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl]-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indole.
What is the SMILES notation for (3aS)-8b-[(3aS,8bR)-2,3,3a,4-tetrahydro-1H-cyclopenta[a]inden-8b-yl]-5-[(3aR,8bR)-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl]-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indole?
The canonical SMILES for (3aS)-8b-[(3aS,8bR)-2,3,3a,4-tetrahydro-1H-cyclopenta[a]inden-8b-yl]-5-[(3aR,8bR)-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl]-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indole is CN1CC[C@]2(c3cccc4c3N[C@H]3N(C)CCC43[C@]34CCC[C@H]3Cc3ccccc34)c3ccccc3N[C@H]12.
What is the InChIKey of (3aS)-8b-[(3aS,8bR)-2,3,3a,4-tetrahydro-1H-cyclopenta[a]inden-8b-yl]-5-[(3aR,8bR)-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl]-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indole?
The InChIKey is BSSWPZQQSYPBGO-URBZABEOSA-N. The full InChI is InChI=1S/C34H38N4/c1-37-19-17-32(25-12-5-6-15-28(25)35-30(32)37)26-13-7-14-27-29(26)36-31-34(27,18-20-38(31)2)33-16-8-10-23(33)21-22-9-3-4-11-24(22)33/h3-7,9,11-15,23,30-31,35-36H,8,10,16-21H2,1-2H3/t23-,30+,31-,32+,33+,34?/m0/s1.
What are the key properties of (3aS)-8b-[(3aS,8bR)-2,3,3a,4-tetrahydro-1H-cyclopenta[a]inden-8b-yl]-5-[(3aR,8bR)-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl]-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indole?
(3aS)-8b-[(3aS,8bR)-2,3,3a,4-tetrahydro-1H-cyclopenta[a]inden-8b-yl]-5-[(3aR,8bR)-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl]-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indole has a molecular weight of 502.71 g/mol, XLogP of 5.68, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS)-8b-[(3aS,8bR)-2,3,3a,4-tetrahydro-1H-cyclopenta[a]inden-8b-yl]-5-[(3aR,8bR)-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl]-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indole is sourced from PubChem (CID 158266146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).