8-[3-(3-phenylphenyl)quinoxalin-2-yl]-1,8,20-triazahexacyclo[11.9.2.02,7.09,24.016,23.017,22]tetracosa-2,4,6,9,11,13(24),14,16(23),17(22),18,20-undecaene

C41H25N5 — CID 170381483

IUPAC8-[3-(3-phenylphenyl)quinoxalin-2-yl]-1,8,20-triazahexacyclo[11.9.2.02,7.09,24.016,23.017,22]tetracosa-2,4,6,9,11,13(24),14,16(23),17(22),18,20-undecaene
SMILESc1ccc(-c2cccc(-c3nc4ccccc4nc3-n3c4cccc5ccc6c7ccncc7n(c7ccccc73)c6c54)c2)cc1
InChIInChI=1S/C41H25N5/c1-2-10-26(11-3-1)28-13-8-14-29(24-28)39-41(44-33-16-5-4-15-32(33)43-39)46-35-18-7-6-17-34(35)45-37-25-42-23-22-30(37)31-21-20-27-12-9-19-36(46)38(27)40(31)45/h1-25H
InChIKeyPMRCAILFDPBESR-UHFFFAOYSA-N
MW587.69 g/mol
LogP10.02
Rot. Bonds3

About 8-[3-(3-phenylphenyl)quinoxalin-2-yl]-1,8,20-triazahexacyclo[11.9.2.02,7.09,24.016,23.017,22]tetracosa-2,4,6,9,11,13(24),14,16(23),17(22),18,20-undecaene

8-[3-(3-phenylphenyl)quinoxalin-2-yl]-1,8,20-triazahexacyclo[11.9.2.02,7.09,24.016,23.017,22]tetracosa-2,4,6,9,11,13(24),14,16(23),17(22),18,20-undecaene (PubChem CID 170381483) has the molecular formula C41H25N5 and a molecular weight of 587.69 g/mol. Its IUPAC name is 8-[3-(3-phenylphenyl)quinoxalin-2-yl]-1,8,20-triazahexacyclo[11.9.2.02,7.09,24.016,23.017,22]tetracosa-2,4,6,9,11,13(24),14,16(23),17(22),18,20-undecaene.

Molecular Properties

Compound Name8-[3-(3-phenylphenyl)quinoxalin-2-yl]-1,8,20-triazahexacyclo[11.9.2.02,7.09,24.016,23.017,22]tetracosa-2,4,6,9,11,13(24),14,16(23),17(22),18,20-undecaene
PubChem CID170381483
Molecular FormulaC41H25N5
Molecular Weight587.69 g/mol
Exact Mass587.21
IUPAC Name8-[3-(3-phenylphenyl)quinoxalin-2-yl]-1,8,20-triazahexacyclo[11.9.2.02,7.09,24.016,23.017,22]tetracosa-2,4,6,9,11,13(24),14,16(23),17(22),18,20-undecaene
SMILESc1ccc(-c2cccc(-c3nc4ccccc4nc3-n3c4cccc5ccc6c7ccncc7n(c7ccccc73)c6c54)c2)cc1
InChIInChI=1S/C41H25N5/c1-2-10-26(11-3-1)28-13-8-14-29(24-28)39-41(44-33-16-5-4-15-32(33)43-39)46-35-18-7-6-17-34(35)45-37-25-42-23-22-30(37)31-21-20-27-12-9-19-36(46)38(27)40(31)45/h1-25H
InChIKeyPMRCAILFDPBESR-UHFFFAOYSA-N
XLogP10.02
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.69
LogP ≤ 510.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-[3-(3-phenylphenyl)quinoxalin-2-yl]-1,8,20-triazahexacyclo[11.9.2.02,7.09,24.016,23.017,22]tetracosa-2,4,6,9,11,13(24),14,16(23),17(22),18,20-undecaene 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
8-(2-phenylquinolin-3-yl)-1,8,19-triazahexacyclo[11.9.2.02,7.09,24.016,23.017,22]tetracosa-2,4,6,9,11,13(24),14,16(23),17(22),18,20-undecaene
CID 170381485
12-(3-phenylquinoxalin-2-yl)-1,12-diazaoctacyclo[15.13.2.02,11.04,9.013,32.020,31.021,30.022,27]dotriaconta-2,4,6,8,10,13,15,17(32),18,20(31),21(30),22,24,26,28-pentadecaene
CID 170381299
13-(3-phenylquinoxalin-2-yl)-13,31-diazanonacyclo[15.15.0.02,14.03,12.04,9.05,31.020,32.021,30.023,28]dotriaconta-1(17),2(14),3(12),4(9),5,7,10,15,18,20(32),21,23,25,27,29-pentadecaene
CID 170399481
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
8-[4-phenyl-6-[(2E,4E)-5-[3-[3-(1,4,8-triazahexacyclo[11.9.2.02,7.09,24.016,23.017,22]tetracosa-2(7),3,5,9,11,13(24),14,16(23),17,19,21-undecaen-8-yl)quinoxalin-2-yl]phenyl]hexa-2,4-dien-2-yl]-1,3,5-triazin-2-yl]-1,6,8-triazahexacyclo[11.9.2.02,7.09,24.016,23.017,22]tetracosa-2(7),3,5,9,11,13(24),14,16(23),17,19,21-undecaene
CID 170382483
4-phenyl-2-(1,8,20-triazahexacyclo[11.9.2.02,7.09,24.016,23.017,22]tetracosa-2,4,6,9,11,13(24),14,16(23),17(22),18,20-undecaen-8-yl)-[1]benzothiolo[3,2-d]pyrimidine
CID 170381744
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
1-carbazol-9-yl-5-[3-(3-phenylphenyl)quinoxalin-2-yl]benzo[b]carbazole
CID 155114249
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
15-(3-dibenzothiophen-2-ylquinoxalin-2-yl)-4,15-diazaoctacyclo[14.12.0.02,14.03,11.04,26.05,10.019,28.022,27]octacosa-1(16),2(14),3(11),5,7,9,12,17,19(28),20,22(27),23,25-tridecaene
CID 162770103
17-phenyl-23-[3-(3-phenylphenyl)quinoxalin-2-yl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14(22),15,17,19-undecaene
CID 139497871

Frequently Asked Questions

What is the IUPAC name of 8-[3-(3-phenylphenyl)quinoxalin-2-yl]-1,8,20-triazahexacyclo[11.9.2.02,7.09,24.016,23.017,22]tetracosa-2,4,6,9,11,13(24),14,16(23),17(22),18,20-undecaene?
The IUPAC name of 8-[3-(3-phenylphenyl)quinoxalin-2-yl]-1,8,20-triazahexacyclo[11.9.2.02,7.09,24.016,23.017,22]tetracosa-2,4,6,9,11,13(24),14,16(23),17(22),18,20-undecaene (CID 170381483) is 8-[3-(3-phenylphenyl)quinoxalin-2-yl]-1,8,20-triazahexacyclo[11.9.2.02,7.09,24.016,23.017,22]tetracosa-2,4,6,9,11,13(24),14,16(23),17(22),18,20-undecaene.
What is the SMILES notation for 8-[3-(3-phenylphenyl)quinoxalin-2-yl]-1,8,20-triazahexacyclo[11.9.2.02,7.09,24.016,23.017,22]tetracosa-2,4,6,9,11,13(24),14,16(23),17(22),18,20-undecaene?
The canonical SMILES for 8-[3-(3-phenylphenyl)quinoxalin-2-yl]-1,8,20-triazahexacyclo[11.9.2.02,7.09,24.016,23.017,22]tetracosa-2,4,6,9,11,13(24),14,16(23),17(22),18,20-undecaene is c1ccc(-c2cccc(-c3nc4ccccc4nc3-n3c4cccc5ccc6c7ccncc7n(c7ccccc73)c6c54)c2)cc1.
What is the InChIKey of 8-[3-(3-phenylphenyl)quinoxalin-2-yl]-1,8,20-triazahexacyclo[11.9.2.02,7.09,24.016,23.017,22]tetracosa-2,4,6,9,11,13(24),14,16(23),17(22),18,20-undecaene?
The InChIKey is PMRCAILFDPBESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H25N5/c1-2-10-26(11-3-1)28-13-8-14-29(24-28)39-41(44-33-16-5-4-15-32(33)43-39)46-35-18-7-6-17-34(35)45-37-25-42-23-22-30(37)31-21-20-27-12-9-19-36(46)38(27)40(31)45/h1-25H.
What are the key properties of 8-[3-(3-phenylphenyl)quinoxalin-2-yl]-1,8,20-triazahexacyclo[11.9.2.02,7.09,24.016,23.017,22]tetracosa-2,4,6,9,11,13(24),14,16(23),17(22),18,20-undecaene?
8-[3-(3-phenylphenyl)quinoxalin-2-yl]-1,8,20-triazahexacyclo[11.9.2.02,7.09,24.016,23.017,22]tetracosa-2,4,6,9,11,13(24),14,16(23),17(22),18,20-undecaene has a molecular weight of 587.69 g/mol, XLogP of 10.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(3-phenylphenyl)quinoxalin-2-yl]-1,8,20-triazahexacyclo[11.9.2.02,7.09,24.016,23.017,22]tetracosa-2,4,6,9,11,13(24),14,16(23),17(22),18,20-undecaene is sourced from PubChem (CID 170381483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).