11-(3-phenylquinoxalin-2-yl)-11,17-diazaheptacyclo[19.7.1.02,14.04,12.05,10.015,20.025,29]nonacosa-1(28),2(14),3,5,7,9,12,15(20),16,18,21,23,25(29),26-tetradecaene

C41H24N4 — CID 155771561

IUPAC11-(3-phenylquinoxalin-2-yl)-11,17-diazaheptacyclo[19.7.1.02,14.04,12.05,10.015,20.025,29]nonacosa-1(28),2(14),3,5,7,9,12,15(20),16,18,21,23,25(29),26-tetradecaene
SMILESc1ccc(-c2nc3ccccc3nc2-n2c3ccccc3c3cc4c(cc32)-c2cnccc2-c2cccc3cccc-4c23)cc1
InChIInChI=1S/C41H24N4/c1-2-10-26(11-3-1)40-41(44-36-18-6-5-17-35(36)43-40)45-37-19-7-4-14-28(37)33-22-31-30-16-9-13-25-12-8-15-29(39(25)30)27-20-21-42-24-34(27)32(31)23-38(33)45/h1-24H
InChIKeyMEGXOIMTQWYRPG-UHFFFAOYSA-N
MW572.67 g/mol
LogP10.26
Rot. Bonds2

About 11-(3-phenylquinoxalin-2-yl)-11,17-diazaheptacyclo[19.7.1.02,14.04,12.05,10.015,20.025,29]nonacosa-1(28),2(14),3,5,7,9,12,15(20),16,18,21,23,25(29),26-tetradecaene

11-(3-phenylquinoxalin-2-yl)-11,17-diazaheptacyclo[19.7.1.02,14.04,12.05,10.015,20.025,29]nonacosa-1(28),2(14),3,5,7,9,12,15(20),16,18,21,23,25(29),26-tetradecaene (PubChem CID 155771561) has the molecular formula C41H24N4 and a molecular weight of 572.67 g/mol. Its IUPAC name is 11-(3-phenylquinoxalin-2-yl)-11,17-diazaheptacyclo[19.7.1.02,14.04,12.05,10.015,20.025,29]nonacosa-1(28),2(14),3,5,7,9,12,15(20),16,18,21,23,25(29),26-tetradecaene.

Molecular Properties

Compound Name11-(3-phenylquinoxalin-2-yl)-11,17-diazaheptacyclo[19.7.1.02,14.04,12.05,10.015,20.025,29]nonacosa-1(28),2(14),3,5,7,9,12,15(20),16,18,21,23,25(29),26-tetradecaene
PubChem CID155771561
Molecular FormulaC41H24N4
Molecular Weight572.67 g/mol
Exact Mass572.20
IUPAC Name11-(3-phenylquinoxalin-2-yl)-11,17-diazaheptacyclo[19.7.1.02,14.04,12.05,10.015,20.025,29]nonacosa-1(28),2(14),3,5,7,9,12,15(20),16,18,21,23,25(29),26-tetradecaene
SMILESc1ccc(-c2nc3ccccc3nc2-n2c3ccccc3c3cc4c(cc32)-c2cnccc2-c2cccc3cccc-4c23)cc1
InChIInChI=1S/C41H24N4/c1-2-10-26(11-3-1)40-41(44-36-18-6-5-17-35(36)43-40)45-37-19-7-4-14-28(37)33-22-31-30-16-9-13-25-12-8-15-29(39(25)30)27-20-21-42-24-34(27)32(31)23-38(33)45/h1-24H
InChIKeyMEGXOIMTQWYRPG-UHFFFAOYSA-N
XLogP10.26
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.67
LogP ≤ 510.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 11-(3-phenylquinoxalin-2-yl)-11,17-diazaheptacyclo[19.7.1.02,14.04,12.05,10.015,20.025,29]nonacosa-1(28),2(14),3,5,7,9,12,15(20),16,18,21,23,25(29),26-tetradecaene with MolForge

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Related Compounds

11-phenyl-30-[4-(3-phenylquinoxalin-2-yl)phenyl]-11,30-diazaoctacyclo[19.7.1.13,28.02,7.08,20.010,18.012,17.025,29]triaconta-1(28),2(7),3,5,8(20),9,12,14,16,18,21,23,25(29),26-tetradecaene
CID 166896362
5-[3-(4-quinolin-8-ylphenyl)quinoxalin-2-yl]benzo[b]carbazole
CID 139361992
5-(4-phenylphenyl)-5-azaheptacyclo[19.7.1.02,14.04,12.06,11.015,20.025,29]nonacosa-1(28),2(14),3,6,8,10,12,15,17,19,21,23,25(29),26-tetradecaene
CID 155771619
10-phenyl-30-(3-phenylquinoxalin-2-yl)-10,30-diazaoctacyclo[19.7.1.113,16.02,14.03,11.04,9.015,20.025,29]triaconta-1(28),2,4,6,8,11,13,15(20),16,18,21,23,25(29),26-tetradecaene
CID 155429520
12,12,13,13-tetramethyl-17-(3-phenylquinoxalin-2-yl)-17-azahexacyclo[12.11.0.02,11.04,9.016,24.018,23]pentacosa-1(14),2,4,6,8,10,15,18,20,22,24-undecaene
CID 163479723
6-(4-phenylquinazolin-2-yl)-6,17-diazaheptacyclo[19.7.1.02,14.05,13.07,12.015,20.025,29]nonacosa-1(28),2(14),3,5(13),7,9,11,15(20),16,18,21,23,25(29),26-tetradecaene
CID 155771553
4-phenyl-7-(3-phenylquinoxalin-2-yl)-[1]benzofuro[2,3-b]carbazole
CID 129290215
9-naphthalen-1-yl-12-[3-(4-phenylphenyl)quinoxalin-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 129149761
19-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),3,5,8,10,12,14,16,18(22),19-undecaene
CID 139497799
5-(3-phenylquinoxalin-2-yl)spiro[indeno[2,1-b]carbazole-7,9'-xanthene]
CID 130288387
9-[4-(4-phenylquinazolin-2-yl)phenyl]-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene;11-[4-(4-phenylquinazolin-2-yl)phenyl]-11-azahexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2(14),3,5,7,9,12,15,17,19(23),20-undecaene
CID 159806119
2-[9-(2,12-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10(15),11,13-octaen-3-yl)carbazol-3-yl]-5-phenylbenzo[b]carbazole
CID 130326094

Frequently Asked Questions

What is the IUPAC name of 11-(3-phenylquinoxalin-2-yl)-11,17-diazaheptacyclo[19.7.1.02,14.04,12.05,10.015,20.025,29]nonacosa-1(28),2(14),3,5,7,9,12,15(20),16,18,21,23,25(29),26-tetradecaene?
The IUPAC name of 11-(3-phenylquinoxalin-2-yl)-11,17-diazaheptacyclo[19.7.1.02,14.04,12.05,10.015,20.025,29]nonacosa-1(28),2(14),3,5,7,9,12,15(20),16,18,21,23,25(29),26-tetradecaene (CID 155771561) is 11-(3-phenylquinoxalin-2-yl)-11,17-diazaheptacyclo[19.7.1.02,14.04,12.05,10.015,20.025,29]nonacosa-1(28),2(14),3,5,7,9,12,15(20),16,18,21,23,25(29),26-tetradecaene.
What is the SMILES notation for 11-(3-phenylquinoxalin-2-yl)-11,17-diazaheptacyclo[19.7.1.02,14.04,12.05,10.015,20.025,29]nonacosa-1(28),2(14),3,5,7,9,12,15(20),16,18,21,23,25(29),26-tetradecaene?
The canonical SMILES for 11-(3-phenylquinoxalin-2-yl)-11,17-diazaheptacyclo[19.7.1.02,14.04,12.05,10.015,20.025,29]nonacosa-1(28),2(14),3,5,7,9,12,15(20),16,18,21,23,25(29),26-tetradecaene is c1ccc(-c2nc3ccccc3nc2-n2c3ccccc3c3cc4c(cc32)-c2cnccc2-c2cccc3cccc-4c23)cc1.
What is the InChIKey of 11-(3-phenylquinoxalin-2-yl)-11,17-diazaheptacyclo[19.7.1.02,14.04,12.05,10.015,20.025,29]nonacosa-1(28),2(14),3,5,7,9,12,15(20),16,18,21,23,25(29),26-tetradecaene?
The InChIKey is MEGXOIMTQWYRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H24N4/c1-2-10-26(11-3-1)40-41(44-36-18-6-5-17-35(36)43-40)45-37-19-7-4-14-28(37)33-22-31-30-16-9-13-25-12-8-15-29(39(25)30)27-20-21-42-24-34(27)32(31)23-38(33)45/h1-24H.
What are the key properties of 11-(3-phenylquinoxalin-2-yl)-11,17-diazaheptacyclo[19.7.1.02,14.04,12.05,10.015,20.025,29]nonacosa-1(28),2(14),3,5,7,9,12,15(20),16,18,21,23,25(29),26-tetradecaene?
11-(3-phenylquinoxalin-2-yl)-11,17-diazaheptacyclo[19.7.1.02,14.04,12.05,10.015,20.025,29]nonacosa-1(28),2(14),3,5,7,9,12,15(20),16,18,21,23,25(29),26-tetradecaene has a molecular weight of 572.67 g/mol, XLogP of 10.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(3-phenylquinoxalin-2-yl)-11,17-diazaheptacyclo[19.7.1.02,14.04,12.05,10.015,20.025,29]nonacosa-1(28),2(14),3,5,7,9,12,15(20),16,18,21,23,25(29),26-tetradecaene is sourced from PubChem (CID 155771561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).