8,9-dimethyl-11-phenyl-8-(10-phenyl-10a,11-dihydroindolo[1,2-a]benzimidazol-11-yl)-1,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12,14,16-hexaene

C41H34N6 — CID 163954347

IUPAC8,9-dimethyl-11-phenyl-8-(10-phenyl-10a,11-dihydroindolo[1,2-a]benzimidazol-11-yl)-1,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12,14,16-hexaene
SMILESCC1C2N(c3ccccc3)c3nccnc3N2c2ccccc2C1(C)C1c2ccccc2N2c3ccccc3N(c3ccccc3)C12
InChIInChI=1S/C41H34N6/c1-27-39-45(29-17-7-4-8-18-29)37-38(43-26-25-42-37)47(39)33-22-12-10-20-31(33)41(27,2)36-30-19-9-11-21-32(30)46-35-24-14-13-23-34(35)44(40(36)46)28-15-5-3-6-16-28/h3-27,36,39-40H,1-2H3
InChIKeySCBCBSROEACABI-UHFFFAOYSA-N
MW610.77 g/mol
LogP9.41
Rot. Bonds3

About 8,9-dimethyl-11-phenyl-8-(10-phenyl-10a,11-dihydroindolo[1,2-a]benzimidazol-11-yl)-1,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12,14,16-hexaene

8,9-dimethyl-11-phenyl-8-(10-phenyl-10a,11-dihydroindolo[1,2-a]benzimidazol-11-yl)-1,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12,14,16-hexaene (PubChem CID 163954347) has the molecular formula C41H34N6 and a molecular weight of 610.77 g/mol. Its IUPAC name is 8,9-dimethyl-11-phenyl-8-(10-phenyl-10a,11-dihydroindolo[1,2-a]benzimidazol-11-yl)-1,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12,14,16-hexaene.

Molecular Properties

Compound Name8,9-dimethyl-11-phenyl-8-(10-phenyl-10a,11-dihydroindolo[1,2-a]benzimidazol-11-yl)-1,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12,14,16-hexaene
PubChem CID163954347
Molecular FormulaC41H34N6
Molecular Weight610.77 g/mol
Exact Mass610.28
IUPAC Name8,9-dimethyl-11-phenyl-8-(10-phenyl-10a,11-dihydroindolo[1,2-a]benzimidazol-11-yl)-1,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12,14,16-hexaene
SMILESCC1C2N(c3ccccc3)c3nccnc3N2c2ccccc2C1(C)C1c2ccccc2N2c3ccccc3N(c3ccccc3)C12
InChIInChI=1S/C41H34N6/c1-27-39-45(29-17-7-4-8-18-29)37-38(43-26-25-42-37)47(39)33-22-12-10-20-31(33)41(27,2)36-30-19-9-11-21-32(30)46-35-24-14-13-23-34(35)44(40(36)46)28-15-5-3-6-16-28/h3-27,36,39-40H,1-2H3
InChIKeySCBCBSROEACABI-UHFFFAOYSA-N
XLogP9.41
TPSA38.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.77
LogP ≤ 59.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8,9-dimethyl-11-phenyl-8-(10-phenyl-10a,11-dihydroindolo[1,2-a]benzimidazol-11-yl)-1,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12,14,16-hexaene with MolForge

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Related Compounds

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8,9-diethyl-8-methyl-11-phenyl-1,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12,14,16-hexaene
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CID 144714092
10,10-dimethyl-8-(2-methylphenyl)-1,3,6,8-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2,4,6,11,13,15-hexaene;ethane
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35-(3,5-dimethyl-4-phenylphenyl)-1,21-dimethyl-19-methylidene-4-phenyl-4,6,9,11,28,30,33,35-octazanonacyclo[19.15.0.02,18.03,11.05,10.012,17.022,27.028,36.029,34]hexatriaconta-5,7,9,12,14,16,22,24,26,29,31,33-dodecaene
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8-ethenyl-9-methyl-11-(2-phenylphenyl)-1,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12,14,16-hexaene
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Frequently Asked Questions

What is the IUPAC name of 8,9-dimethyl-11-phenyl-8-(10-phenyl-10a,11-dihydroindolo[1,2-a]benzimidazol-11-yl)-1,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12,14,16-hexaene?
The IUPAC name of 8,9-dimethyl-11-phenyl-8-(10-phenyl-10a,11-dihydroindolo[1,2-a]benzimidazol-11-yl)-1,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12,14,16-hexaene (CID 163954347) is 8,9-dimethyl-11-phenyl-8-(10-phenyl-10a,11-dihydroindolo[1,2-a]benzimidazol-11-yl)-1,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12,14,16-hexaene.
What is the SMILES notation for 8,9-dimethyl-11-phenyl-8-(10-phenyl-10a,11-dihydroindolo[1,2-a]benzimidazol-11-yl)-1,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12,14,16-hexaene?
The canonical SMILES for 8,9-dimethyl-11-phenyl-8-(10-phenyl-10a,11-dihydroindolo[1,2-a]benzimidazol-11-yl)-1,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12,14,16-hexaene is CC1C2N(c3ccccc3)c3nccnc3N2c2ccccc2C1(C)C1c2ccccc2N2c3ccccc3N(c3ccccc3)C12.
What is the InChIKey of 8,9-dimethyl-11-phenyl-8-(10-phenyl-10a,11-dihydroindolo[1,2-a]benzimidazol-11-yl)-1,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12,14,16-hexaene?
The InChIKey is SCBCBSROEACABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H34N6/c1-27-39-45(29-17-7-4-8-18-29)37-38(43-26-25-42-37)47(39)33-22-12-10-20-31(33)41(27,2)36-30-19-9-11-21-32(30)46-35-24-14-13-23-34(35)44(40(36)46)28-15-5-3-6-16-28/h3-27,36,39-40H,1-2H3.
What are the key properties of 8,9-dimethyl-11-phenyl-8-(10-phenyl-10a,11-dihydroindolo[1,2-a]benzimidazol-11-yl)-1,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12,14,16-hexaene?
8,9-dimethyl-11-phenyl-8-(10-phenyl-10a,11-dihydroindolo[1,2-a]benzimidazol-11-yl)-1,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12,14,16-hexaene has a molecular weight of 610.77 g/mol, XLogP of 9.41, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-dimethyl-11-phenyl-8-(10-phenyl-10a,11-dihydroindolo[1,2-a]benzimidazol-11-yl)-1,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12,14,16-hexaene is sourced from PubChem (CID 163954347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).