15-(2-phenylphenyl)-4,15,26-triazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene

C36H23N3 — CID 176965447

IUPAC15-(2-phenylphenyl)-4,15,26-triazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene
SMILESc1ccc(-c2ccccc2-n2c3ccc4c5ccccc5[nH]c4c3c3c4[nH]c5ccccc5c4ccc32)cc1
InChIInChI=1S/C36H23N3/c1-2-10-22(11-3-1)23-12-6-9-17-30(23)39-31-20-18-26-24-13-4-7-15-28(24)37-35(26)33(31)34-32(39)21-19-27-25-14-5-8-16-29(25)38-36(27)34/h1-21,37-38H
InChIKeyODPAKANBWKPGBS-UHFFFAOYSA-N
MW497.60 g/mol
LogP9.72
Rot. Bonds2

About 15-(2-phenylphenyl)-4,15,26-triazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene

15-(2-phenylphenyl)-4,15,26-triazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene (PubChem CID 176965447) has the molecular formula C36H23N3 and a molecular weight of 497.60 g/mol. Its IUPAC name is 15-(2-phenylphenyl)-4,15,26-triazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene.

Molecular Properties

Compound Name15-(2-phenylphenyl)-4,15,26-triazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene
PubChem CID176965447
Molecular FormulaC36H23N3
Molecular Weight497.60 g/mol
Exact Mass497.19
IUPAC Name15-(2-phenylphenyl)-4,15,26-triazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene
SMILESc1ccc(-c2ccccc2-n2c3ccc4c5ccccc5[nH]c4c3c3c4[nH]c5ccccc5c4ccc32)cc1
InChIInChI=1S/C36H23N3/c1-2-10-22(11-3-1)23-12-6-9-17-30(23)39-31-20-18-26-24-13-4-7-15-28(24)37-35(26)33(31)34-32(39)21-19-27-25-14-5-8-16-29(25)38-36(27)34/h1-21,37-38H
InChIKeyODPAKANBWKPGBS-UHFFFAOYSA-N
XLogP9.72
TPSA36.51 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.60
LogP ≤ 59.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 15-(2-phenylphenyl)-4,15,26-triazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene with MolForge

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Related Compounds

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CID 177063693
22,22-dimethyl-14-phenyl-3,14-diazahexacyclo[11.10.0.02,10.04,9.015,23.016,21]tricosa-1(13),2(10),4,6,8,11,15(23),16,18,20-decaene
CID 90270162
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Frequently Asked Questions

What is the IUPAC name of 15-(2-phenylphenyl)-4,15,26-triazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene?
The IUPAC name of 15-(2-phenylphenyl)-4,15,26-triazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene (CID 176965447) is 15-(2-phenylphenyl)-4,15,26-triazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene.
What is the SMILES notation for 15-(2-phenylphenyl)-4,15,26-triazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene?
The canonical SMILES for 15-(2-phenylphenyl)-4,15,26-triazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene is c1ccc(-c2ccccc2-n2c3ccc4c5ccccc5[nH]c4c3c3c4[nH]c5ccccc5c4ccc32)cc1.
What is the InChIKey of 15-(2-phenylphenyl)-4,15,26-triazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene?
The InChIKey is ODPAKANBWKPGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H23N3/c1-2-10-22(11-3-1)23-12-6-9-17-30(23)39-31-20-18-26-24-13-4-7-15-28(24)37-35(26)33(31)34-32(39)21-19-27-25-14-5-8-16-29(25)38-36(27)34/h1-21,37-38H.
What are the key properties of 15-(2-phenylphenyl)-4,15,26-triazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene?
15-(2-phenylphenyl)-4,15,26-triazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene has a molecular weight of 497.60 g/mol, XLogP of 9.72, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 15-(2-phenylphenyl)-4,15,26-triazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene is sourced from PubChem (CID 176965447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).