12,14,16-trimethyl-19-phenyl-3-azaheptacyclo[13.9.2.02,10.04,9.011,26.018,25.020,24]hexacosa-2,4,6,8,11,13,15(26),16,18(25),20(24),22-undecaene

C34H27N — CID 170394219

IUPAC12,14,16-trimethyl-19-phenyl-3-azaheptacyclo[13.9.2.02,10.04,9.011,26.018,25.020,24]hexacosa-2,4,6,8,11,13,15(26),16,18(25),20(24),22-undecaene
SMILESCc1cc(C)c2c(C)cc3c4c2c1C1C(=Nc2ccccc21)C4C1=C(CC=C1)C3c1ccccc1
InChIInChI=1S/C34H27N/c1-18-16-19(2)28-32-24-12-7-8-15-26(24)35-34(32)31-23-14-9-13-22(23)29(21-10-5-4-6-11-21)25-17-20(3)27(18)33(28)30(25)31/h4-12,14-17,29,31-32H,13H2,1-3H3
InChIKeyIWGZGGDKTAZOQN-UHFFFAOYSA-N
MW449.60 g/mol
LogP8.48
Rot. Bonds1

About 12,14,16-trimethyl-19-phenyl-3-azaheptacyclo[13.9.2.02,10.04,9.011,26.018,25.020,24]hexacosa-2,4,6,8,11,13,15(26),16,18(25),20(24),22-undecaene

12,14,16-trimethyl-19-phenyl-3-azaheptacyclo[13.9.2.02,10.04,9.011,26.018,25.020,24]hexacosa-2,4,6,8,11,13,15(26),16,18(25),20(24),22-undecaene (PubChem CID 170394219) has the molecular formula C34H27N and a molecular weight of 449.60 g/mol. Its IUPAC name is 12,14,16-trimethyl-19-phenyl-3-azaheptacyclo[13.9.2.02,10.04,9.011,26.018,25.020,24]hexacosa-2,4,6,8,11,13,15(26),16,18(25),20(24),22-undecaene.

Molecular Properties

Compound Name12,14,16-trimethyl-19-phenyl-3-azaheptacyclo[13.9.2.02,10.04,9.011,26.018,25.020,24]hexacosa-2,4,6,8,11,13,15(26),16,18(25),20(24),22-undecaene
PubChem CID170394219
Molecular FormulaC34H27N
Molecular Weight449.60 g/mol
Exact Mass449.21
IUPAC Name12,14,16-trimethyl-19-phenyl-3-azaheptacyclo[13.9.2.02,10.04,9.011,26.018,25.020,24]hexacosa-2,4,6,8,11,13,15(26),16,18(25),20(24),22-undecaene
SMILESCc1cc(C)c2c(C)cc3c4c2c1C1C(=Nc2ccccc21)C4C1=C(CC=C1)C3c1ccccc1
InChIInChI=1S/C34H27N/c1-18-16-19(2)28-32-24-12-7-8-15-26(24)35-34(32)31-23-14-9-13-22(23)29(21-10-5-4-6-11-21)25-17-20(3)27(18)33(28)30(25)31/h4-12,14-17,29,31-32H,13H2,1-3H3
InChIKeyIWGZGGDKTAZOQN-UHFFFAOYSA-N
XLogP8.48
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.60
LogP ≤ 58.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 12,14,16-trimethyl-19-phenyl-3-azaheptacyclo[13.9.2.02,10.04,9.011,26.018,25.020,24]hexacosa-2,4,6,8,11,13,15(26),16,18(25),20(24),22-undecaene with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 12,14,16-trimethyl-19-phenyl-3-azaheptacyclo[13.9.2.02,10.04,9.011,26.018,25.020,24]hexacosa-2,4,6,8,11,13,15(26),16,18(25),20(24),22-undecaene?
The IUPAC name of 12,14,16-trimethyl-19-phenyl-3-azaheptacyclo[13.9.2.02,10.04,9.011,26.018,25.020,24]hexacosa-2,4,6,8,11,13,15(26),16,18(25),20(24),22-undecaene (CID 170394219) is 12,14,16-trimethyl-19-phenyl-3-azaheptacyclo[13.9.2.02,10.04,9.011,26.018,25.020,24]hexacosa-2,4,6,8,11,13,15(26),16,18(25),20(24),22-undecaene.
What is the SMILES notation for 12,14,16-trimethyl-19-phenyl-3-azaheptacyclo[13.9.2.02,10.04,9.011,26.018,25.020,24]hexacosa-2,4,6,8,11,13,15(26),16,18(25),20(24),22-undecaene?
The canonical SMILES for 12,14,16-trimethyl-19-phenyl-3-azaheptacyclo[13.9.2.02,10.04,9.011,26.018,25.020,24]hexacosa-2,4,6,8,11,13,15(26),16,18(25),20(24),22-undecaene is Cc1cc(C)c2c(C)cc3c4c2c1C1C(=Nc2ccccc21)C4C1=C(CC=C1)C3c1ccccc1.
What is the InChIKey of 12,14,16-trimethyl-19-phenyl-3-azaheptacyclo[13.9.2.02,10.04,9.011,26.018,25.020,24]hexacosa-2,4,6,8,11,13,15(26),16,18(25),20(24),22-undecaene?
The InChIKey is IWGZGGDKTAZOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H27N/c1-18-16-19(2)28-32-24-12-7-8-15-26(24)35-34(32)31-23-14-9-13-22(23)29(21-10-5-4-6-11-21)25-17-20(3)27(18)33(28)30(25)31/h4-12,14-17,29,31-32H,13H2,1-3H3.
What are the key properties of 12,14,16-trimethyl-19-phenyl-3-azaheptacyclo[13.9.2.02,10.04,9.011,26.018,25.020,24]hexacosa-2,4,6,8,11,13,15(26),16,18(25),20(24),22-undecaene?
12,14,16-trimethyl-19-phenyl-3-azaheptacyclo[13.9.2.02,10.04,9.011,26.018,25.020,24]hexacosa-2,4,6,8,11,13,15(26),16,18(25),20(24),22-undecaene has a molecular weight of 449.60 g/mol, XLogP of 8.48, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 12,14,16-trimethyl-19-phenyl-3-azaheptacyclo[13.9.2.02,10.04,9.011,26.018,25.020,24]hexacosa-2,4,6,8,11,13,15(26),16,18(25),20(24),22-undecaene is sourced from PubChem (CID 170394219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).