8,8-dimethyl-18-phenyl-1,18-diazaheptacyclo[15.11.1.02,7.09,29.010,15.019,28.021,26]nonacosa-2,4,6,9(29),10,12,14,16,19,21,23,25,27-tridecaene

C35H26N2 — CID 118443215

IUPAC8,8-dimethyl-18-phenyl-1,18-diazaheptacyclo[15.11.1.02,7.09,29.010,15.019,28.021,26]nonacosa-2,4,6,9(29),10,12,14,16,19,21,23,25,27-tridecaene
SMILESCC1(C)c2ccccc2N2c3cc4ccccc4cc3N(c3ccccc3)c3cc4ccccc4c1c32
InChIInChI=1S/C35H26N2/c1-35(2)28-18-10-11-19-29(28)37-31-21-24-13-7-6-12-23(24)20-30(31)36(26-15-4-3-5-16-26)32-22-25-14-8-9-17-27(25)33(35)34(32)37/h3-22H,1-2H3
InChIKeyIDNSJBBBLDAIBF-UHFFFAOYSA-N
MW474.61 g/mol
LogP9.89
Rot. Bonds1

About 8,8-dimethyl-18-phenyl-1,18-diazaheptacyclo[15.11.1.02,7.09,29.010,15.019,28.021,26]nonacosa-2,4,6,9(29),10,12,14,16,19,21,23,25,27-tridecaene

8,8-dimethyl-18-phenyl-1,18-diazaheptacyclo[15.11.1.02,7.09,29.010,15.019,28.021,26]nonacosa-2,4,6,9(29),10,12,14,16,19,21,23,25,27-tridecaene (PubChem CID 118443215) has the molecular formula C35H26N2 and a molecular weight of 474.61 g/mol. Its IUPAC name is 8,8-dimethyl-18-phenyl-1,18-diazaheptacyclo[15.11.1.02,7.09,29.010,15.019,28.021,26]nonacosa-2,4,6,9(29),10,12,14,16,19,21,23,25,27-tridecaene.

Molecular Properties

Compound Name8,8-dimethyl-18-phenyl-1,18-diazaheptacyclo[15.11.1.02,7.09,29.010,15.019,28.021,26]nonacosa-2,4,6,9(29),10,12,14,16,19,21,23,25,27-tridecaene
PubChem CID118443215
Molecular FormulaC35H26N2
Molecular Weight474.61 g/mol
Exact Mass474.21
IUPAC Name8,8-dimethyl-18-phenyl-1,18-diazaheptacyclo[15.11.1.02,7.09,29.010,15.019,28.021,26]nonacosa-2,4,6,9(29),10,12,14,16,19,21,23,25,27-tridecaene
SMILESCC1(C)c2ccccc2N2c3cc4ccccc4cc3N(c3ccccc3)c3cc4ccccc4c1c32
InChIInChI=1S/C35H26N2/c1-35(2)28-18-10-11-19-29(28)37-31-21-24-13-7-6-12-23(24)20-30(31)36(26-15-4-3-5-16-26)32-22-25-14-8-9-17-27(25)33(35)34(32)37/h3-22H,1-2H3
InChIKeyIDNSJBBBLDAIBF-UHFFFAOYSA-N
XLogP9.89
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.61
LogP ≤ 59.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 8,8-dimethyl-18-phenyl-1,18-diazaheptacyclo[15.11.1.02,7.09,29.010,15.019,28.021,26]nonacosa-2,4,6,9(29),10,12,14,16,19,21,23,25,27-tridecaene with MolForge

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Related Compounds

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CID 118443210
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10-[10-(9,9-dimethylacridin-10-yl)anthracen-9-yl]-9,9-dimethylacridine
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15,15,35,35-tetramethyl-8,28-diphenyl-18,38-dithia-8,28-diazadecacyclo[19.19.0.03,19.04,17.07,16.09,14.023,39.024,37.027,36.029,34]tetraconta-1,3(19),4(17),5,7(16),9,11,13,20,22,24(37),25,27(36),29,31,33,39-heptadecaene
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17,27,32,54,56,58-hexakis-phenyl-17,27,32,54,56,58-hexaza-6,43-diborahexadecacyclo[29.23.1.14,8.16,18.141,45.02,29.05,28.07,16.010,15.019,24.033,42.035,40.043,55.044,53.046,51.026,57]octapentaconta-1(55),2,4,7(16),8,10,12,14,18(57),19,21,23,25,28,30,33,35,37,39,41,44,46,48,50,52-pentacosaene;17,17,41,41-tetramethyl-20,26,31,52,54,56-hexakis-phenyl-20,26,31,52,54,56-hexaza-6,45-diborahexadecacyclo[28.22.1.14,8.16,21.143,47.02,28.05,27.07,19.010,18.011,16.032,44.034,42.035,40.045,53.046,51.025,55]hexapentaconta-1(53),2,4,7,9,11,13,15,18,21,23,25(55),27,29,32(44),33,35,37,39,42,46(51),47,49-tricosaene
CID 158491524
9,9-dimethyl-10-phenanthren-3-ylacridine
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CID 58489784
5,5,16,17,28,28-hexamethyl-12,21-diphenyl-12,21-diazaheptacyclo[16.12.0.02,15.04,13.06,11.020,29.022,27]triaconta-1(30),2,4(13),6,8,10,14,16,18,20(29),22,24,26-tridecaene
CID 58489835
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CID 118651422
3,3-dimethyl-1-phenylindole-2-thione
CID 14113261
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Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-18-phenyl-1,18-diazaheptacyclo[15.11.1.02,7.09,29.010,15.019,28.021,26]nonacosa-2,4,6,9(29),10,12,14,16,19,21,23,25,27-tridecaene?
The IUPAC name of 8,8-dimethyl-18-phenyl-1,18-diazaheptacyclo[15.11.1.02,7.09,29.010,15.019,28.021,26]nonacosa-2,4,6,9(29),10,12,14,16,19,21,23,25,27-tridecaene (CID 118443215) is 8,8-dimethyl-18-phenyl-1,18-diazaheptacyclo[15.11.1.02,7.09,29.010,15.019,28.021,26]nonacosa-2,4,6,9(29),10,12,14,16,19,21,23,25,27-tridecaene.
What is the SMILES notation for 8,8-dimethyl-18-phenyl-1,18-diazaheptacyclo[15.11.1.02,7.09,29.010,15.019,28.021,26]nonacosa-2,4,6,9(29),10,12,14,16,19,21,23,25,27-tridecaene?
The canonical SMILES for 8,8-dimethyl-18-phenyl-1,18-diazaheptacyclo[15.11.1.02,7.09,29.010,15.019,28.021,26]nonacosa-2,4,6,9(29),10,12,14,16,19,21,23,25,27-tridecaene is CC1(C)c2ccccc2N2c3cc4ccccc4cc3N(c3ccccc3)c3cc4ccccc4c1c32.
What is the InChIKey of 8,8-dimethyl-18-phenyl-1,18-diazaheptacyclo[15.11.1.02,7.09,29.010,15.019,28.021,26]nonacosa-2,4,6,9(29),10,12,14,16,19,21,23,25,27-tridecaene?
The InChIKey is IDNSJBBBLDAIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H26N2/c1-35(2)28-18-10-11-19-29(28)37-31-21-24-13-7-6-12-23(24)20-30(31)36(26-15-4-3-5-16-26)32-22-25-14-8-9-17-27(25)33(35)34(32)37/h3-22H,1-2H3.
What are the key properties of 8,8-dimethyl-18-phenyl-1,18-diazaheptacyclo[15.11.1.02,7.09,29.010,15.019,28.021,26]nonacosa-2,4,6,9(29),10,12,14,16,19,21,23,25,27-tridecaene?
8,8-dimethyl-18-phenyl-1,18-diazaheptacyclo[15.11.1.02,7.09,29.010,15.019,28.021,26]nonacosa-2,4,6,9(29),10,12,14,16,19,21,23,25,27-tridecaene has a molecular weight of 474.61 g/mol, XLogP of 9.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-18-phenyl-1,18-diazaheptacyclo[15.11.1.02,7.09,29.010,15.019,28.021,26]nonacosa-2,4,6,9(29),10,12,14,16,19,21,23,25,27-tridecaene is sourced from PubChem (CID 118443215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).