26-[3-(5-phenyl-2-pyridinyl)quinoxalin-2-yl]-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene

C43H25N5 — CID 140947108

IUPAC26-[3-(5-phenyl-2-pyridinyl)quinoxalin-2-yl]-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene
SMILESc1ccc(-c2ccc(-c3nc4ccccc4nc3-n3c4cccc5c6cccc7c8ccccc8n(c8cccc3c8c54)c67)nc2)cc1
InChIInChI=1S/C43H25N5/c1-2-11-26(12-3-1)27-23-24-34(44-25-27)41-43(46-33-18-6-5-17-32(33)45-41)48-36-20-9-14-29-31-16-8-15-30-28-13-4-7-19-35(28)47(42(30)31)37-21-10-22-38(48)40(37)39(29)36/h1-25H
InChIKeySPPQAYZXRIHILP-UHFFFAOYSA-N
MW611.71 g/mol
LogP10.61
Rot. Bonds3

About 26-[3-(5-phenyl-2-pyridinyl)quinoxalin-2-yl]-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene

26-[3-(5-phenyl-2-pyridinyl)quinoxalin-2-yl]-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene (PubChem CID 140947108) has the molecular formula C43H25N5 and a molecular weight of 611.71 g/mol. Its IUPAC name is 26-[3-(5-phenyl-2-pyridinyl)quinoxalin-2-yl]-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene.

Molecular Properties

Compound Name26-[3-(5-phenyl-2-pyridinyl)quinoxalin-2-yl]-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene
PubChem CID140947108
Molecular FormulaC43H25N5
Molecular Weight611.71 g/mol
Exact Mass611.21
IUPAC Name26-[3-(5-phenyl-2-pyridinyl)quinoxalin-2-yl]-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene
SMILESc1ccc(-c2ccc(-c3nc4ccccc4nc3-n3c4cccc5c6cccc7c8ccccc8n(c8cccc3c8c54)c67)nc2)cc1
InChIInChI=1S/C43H25N5/c1-2-11-26(12-3-1)27-23-24-34(44-25-27)41-43(46-33-18-6-5-17-32(33)45-41)48-36-20-9-14-29-31-16-8-15-30-28-13-4-7-19-35(28)47(42(30)31)37-21-10-22-38(48)40(37)39(29)36/h1-25H
InChIKeySPPQAYZXRIHILP-UHFFFAOYSA-N
XLogP10.61
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.71
LogP ≤ 510.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 26-[3-(5-phenyl-2-pyridinyl)quinoxalin-2-yl]-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene with MolForge

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Related Compounds

26-[3-(3-phenylphenyl)quinoxalin-2-yl]-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene
CID 139570650
12-(4-phenylphenyl)-20-[3-(4-phenylphenyl)quinoxalin-2-yl]-12,20-diazapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13(18),14,16-nonaene
CID 164807793
10-(3-phenylquinoxalin-2-yl)-1,10-diazaoctacyclo[13.10.1.02,14.03,11.04,9.05,24.019,26.020,25]hexacosa-2(14),3(11),4,6,8,12,15,17,19(26),20,22,24-dodecaene
CID 163425953
26-(4,6-diphenylpyrimidin-2-yl)-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene
CID 163971328
26-(4,7-diphenylquinazolin-2-yl)-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene
CID 158224203
26-(3-naphthalen-2-ylquinoxalin-2-yl)-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene
CID 134221449
26-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene
CID 139570657
22-(3-phenylquinoxalin-2-yl)-14,22-diazahexacyclo[12.6.1.16,9.02,7.08,13.017,21]docosa-1(20),2(7),3,5,8(13),9,11,15,17(21),18-decaene
CID 140947093
14-(3-naphthalen-2-ylquinoxalin-2-yl)-14,19-diazaoctacyclo[17.10.1.02,18.03,15.04,13.07,12.020,25.026,30]triaconta-1(29),2(18),3(15),4(13),5,7,9,11,16,20,22,24,26(30),27-tetradecaene
CID 148811701
10-[4-(3-phenylquinoxalin-2-yl)naphthalen-1-yl]-10,15-diazaheptacyclo[13.10.1.02,14.03,11.04,9.016,21.022,26]hexacosa-1(25),2(14),3(11),4,6,8,12,16,18,20,22(26),23-dodecaene
CID 146843033
30-[3-(4-phenylquinazolin-2-yl)phenyl]-1,30-diazaoctacyclo[14.12.1.121,24.02,11.05,10.012,29.017,22.023,28]triaconta-2(11),3,5,7,9,12,14,16(29),17(22),18,20,23,25,27-tetradecaene;30-(3-phenylquinoxalin-2-yl)-1,30-diazaoctacyclo[14.12.1.121,24.02,11.05,10.012,29.017,22.023,28]triaconta-2(11),3,5,7,9,12,14,16(29),17(22),18,20,23(28),24,26-tetradecaene;30-[4-(3-phenylquinoxalin-2-yl)phenyl]-1,30-diazaoctacyclo[14.12.1.121,24.02,11.05,10.012,29.017,22.023,28]triaconta-2(11),3,5,7,9,12,14,16(29),17(22),18,20,23,25,27-tetradecaene
CID 161131929
10-phenyl-33-(4-phenylquinazolin-2-yl)-10,21,33-triazanonacyclo[19.10.1.113,16.02,14.03,11.04,9.015,20.022,27.028,32]tritriaconta-1(31),2,4,6,8,11,13,15(20),16,18,22,24,26,28(32),29-pentadecaene;34-(3-phenylquinoxalin-2-yl)-1,34-diazanonacyclo[16.14.1.16,9.02,7.08,13.014,33.019,32.020,25.026,31]tetratriaconta-2,4,6,8(13),9,11,14(33),15,17,19(32),20,22,24,26,28,30-hexadecaene;30-[5-(3-phenylquinoxalin-2-yl)-2-pyridinyl]-1,30-diazaoctacyclo[14.12.1.121,24.02,11.05,10.012,29.017,22.023,28]triaconta-2(11),3,5,7,9,12,14,16(29),17(22),18,20,23,25,27-tetradecaene
CID 158495458

Frequently Asked Questions

What is the IUPAC name of 26-[3-(5-phenyl-2-pyridinyl)quinoxalin-2-yl]-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene?
The IUPAC name of 26-[3-(5-phenyl-2-pyridinyl)quinoxalin-2-yl]-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene (CID 140947108) is 26-[3-(5-phenyl-2-pyridinyl)quinoxalin-2-yl]-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene.
What is the SMILES notation for 26-[3-(5-phenyl-2-pyridinyl)quinoxalin-2-yl]-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene?
The canonical SMILES for 26-[3-(5-phenyl-2-pyridinyl)quinoxalin-2-yl]-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene is c1ccc(-c2ccc(-c3nc4ccccc4nc3-n3c4cccc5c6cccc7c8ccccc8n(c8cccc3c8c54)c67)nc2)cc1.
What is the InChIKey of 26-[3-(5-phenyl-2-pyridinyl)quinoxalin-2-yl]-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene?
The InChIKey is SPPQAYZXRIHILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H25N5/c1-2-11-26(12-3-1)27-23-24-34(44-25-27)41-43(46-33-18-6-5-17-32(33)45-41)48-36-20-9-14-29-31-16-8-15-30-28-13-4-7-19-35(28)47(42(30)31)37-21-10-22-38(48)40(37)39(29)36/h1-25H.
What are the key properties of 26-[3-(5-phenyl-2-pyridinyl)quinoxalin-2-yl]-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene?
26-[3-(5-phenyl-2-pyridinyl)quinoxalin-2-yl]-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene has a molecular weight of 611.71 g/mol, XLogP of 10.61, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 26-[3-(5-phenyl-2-pyridinyl)quinoxalin-2-yl]-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene is sourced from PubChem (CID 140947108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).