26-phenyl-8,26-diazahexacyclo[13.11.0.02,7.09,14.016,25.019,24]hexacosa-1(15),2,4,6,9,11,13,16(25),17,19(24),22-undecaene

C30H22N2 — CID 145218035

IUPAC26-phenyl-8,26-diazahexacyclo[13.11.0.02,7.09,14.016,25.019,24]hexacosa-1(15),2,4,6,9,11,13,16(25),17,19(24),22-undecaene
SMILESC1=Cc2c(ccc3c4c(n(-c5ccccc5)c23)-c2ccccc2Nc2ccccc2-4)CC1
InChIInChI=1S/C30H22N2/c1-2-11-21(12-3-1)32-29-22-13-5-4-10-20(22)18-19-25(29)28-23-14-6-8-16-26(23)31-27-17-9-7-15-24(27)30(28)32/h1-3,5-9,11-19,31H,4,10H2
InChIKeyMCPPZZIMEJNYCN-UHFFFAOYSA-N
MW410.52 g/mol
LogP7.98
Rot. Bonds1

About 26-phenyl-8,26-diazahexacyclo[13.11.0.02,7.09,14.016,25.019,24]hexacosa-1(15),2,4,6,9,11,13,16(25),17,19(24),22-undecaene

26-phenyl-8,26-diazahexacyclo[13.11.0.02,7.09,14.016,25.019,24]hexacosa-1(15),2,4,6,9,11,13,16(25),17,19(24),22-undecaene (PubChem CID 145218035) has the molecular formula C30H22N2 and a molecular weight of 410.52 g/mol. Its IUPAC name is 26-phenyl-8,26-diazahexacyclo[13.11.0.02,7.09,14.016,25.019,24]hexacosa-1(15),2,4,6,9,11,13,16(25),17,19(24),22-undecaene.

Molecular Properties

Compound Name26-phenyl-8,26-diazahexacyclo[13.11.0.02,7.09,14.016,25.019,24]hexacosa-1(15),2,4,6,9,11,13,16(25),17,19(24),22-undecaene
PubChem CID145218035
Molecular FormulaC30H22N2
Molecular Weight410.52 g/mol
Exact Mass410.18
IUPAC Name26-phenyl-8,26-diazahexacyclo[13.11.0.02,7.09,14.016,25.019,24]hexacosa-1(15),2,4,6,9,11,13,16(25),17,19(24),22-undecaene
SMILESC1=Cc2c(ccc3c4c(n(-c5ccccc5)c23)-c2ccccc2Nc2ccccc2-4)CC1
InChIInChI=1S/C30H22N2/c1-2-11-21(12-3-1)32-29-22-13-5-4-10-20(22)18-19-25(29)28-23-14-6-8-16-26(23)31-27-17-9-7-15-24(27)30(28)32/h1-3,5-9,11-19,31H,4,10H2
InChIKeyMCPPZZIMEJNYCN-UHFFFAOYSA-N
XLogP7.98
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.52
LogP ≤ 57.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 26-phenyl-8,26-diazahexacyclo[13.11.0.02,7.09,14.016,25.019,24]hexacosa-1(15),2,4,6,9,11,13,16(25),17,19(24),22-undecaene with MolForge

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Related Compounds

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CID 129306239
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CID 70919345
8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17-nonaene
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3-[4-(1-carbazol-9-yl-5,6-dihydronaphthalen-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole
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Frequently Asked Questions

What is the IUPAC name of 26-phenyl-8,26-diazahexacyclo[13.11.0.02,7.09,14.016,25.019,24]hexacosa-1(15),2,4,6,9,11,13,16(25),17,19(24),22-undecaene?
The IUPAC name of 26-phenyl-8,26-diazahexacyclo[13.11.0.02,7.09,14.016,25.019,24]hexacosa-1(15),2,4,6,9,11,13,16(25),17,19(24),22-undecaene (CID 145218035) is 26-phenyl-8,26-diazahexacyclo[13.11.0.02,7.09,14.016,25.019,24]hexacosa-1(15),2,4,6,9,11,13,16(25),17,19(24),22-undecaene.
What is the SMILES notation for 26-phenyl-8,26-diazahexacyclo[13.11.0.02,7.09,14.016,25.019,24]hexacosa-1(15),2,4,6,9,11,13,16(25),17,19(24),22-undecaene?
The canonical SMILES for 26-phenyl-8,26-diazahexacyclo[13.11.0.02,7.09,14.016,25.019,24]hexacosa-1(15),2,4,6,9,11,13,16(25),17,19(24),22-undecaene is C1=Cc2c(ccc3c4c(n(-c5ccccc5)c23)-c2ccccc2Nc2ccccc2-4)CC1.
What is the InChIKey of 26-phenyl-8,26-diazahexacyclo[13.11.0.02,7.09,14.016,25.019,24]hexacosa-1(15),2,4,6,9,11,13,16(25),17,19(24),22-undecaene?
The InChIKey is MCPPZZIMEJNYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22N2/c1-2-11-21(12-3-1)32-29-22-13-5-4-10-20(22)18-19-25(29)28-23-14-6-8-16-26(23)31-27-17-9-7-15-24(27)30(28)32/h1-3,5-9,11-19,31H,4,10H2.
What are the key properties of 26-phenyl-8,26-diazahexacyclo[13.11.0.02,7.09,14.016,25.019,24]hexacosa-1(15),2,4,6,9,11,13,16(25),17,19(24),22-undecaene?
26-phenyl-8,26-diazahexacyclo[13.11.0.02,7.09,14.016,25.019,24]hexacosa-1(15),2,4,6,9,11,13,16(25),17,19(24),22-undecaene has a molecular weight of 410.52 g/mol, XLogP of 7.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 26-phenyl-8,26-diazahexacyclo[13.11.0.02,7.09,14.016,25.019,24]hexacosa-1(15),2,4,6,9,11,13,16(25),17,19(24),22-undecaene is sourced from PubChem (CID 145218035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).