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

C48H28N4 — CID 146843033

IUPAC10-[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
SMILESc1ccc(-c2nc3ccccc3nc2-c2ccc(-n3c4ccccc4c4c5c6cccc7c8ccccc8n(c5ccc43)c76)c3ccccc23)cc1
InChIInChI=1S/C48H28N4/c1-2-13-29(14-3-1)46-47(50-38-22-9-8-21-37(38)49-46)33-25-26-41(31-16-5-4-15-30(31)33)51-40-24-11-7-18-35(40)44-42(51)27-28-43-45(44)36-20-12-19-34-32-17-6-10-23-39(32)52(43)48(34)36/h1-28H
InChIKeySGNCVDOMSLKUML-UHFFFAOYSA-N
MW660.78 g/mol
LogP12.36
Rot. Bonds3

About 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

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 (PubChem CID 146843033) has the molecular formula C48H28N4 and a molecular weight of 660.78 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name10-[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
PubChem CID146843033
Molecular FormulaC48H28N4
Molecular Weight660.78 g/mol
Exact Mass660.23
IUPAC Name10-[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
SMILESc1ccc(-c2nc3ccccc3nc2-c2ccc(-n3c4ccccc4c4c5c6cccc7c8ccccc8n(c5ccc43)c76)c3ccccc23)cc1
InChIInChI=1S/C48H28N4/c1-2-13-29(14-3-1)46-47(50-38-22-9-8-21-37(38)49-46)33-25-26-41(31-16-5-4-15-30(31)33)51-40-24-11-7-18-35(40)44-42(51)27-28-43-45(44)36-20-12-19-34-32-17-6-10-23-39(32)52(43)48(34)36/h1-28H
InChIKeySGNCVDOMSLKUML-UHFFFAOYSA-N
XLogP12.36
TPSA35.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.78
LogP ≤ 512.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Related Compounds

26-[4-(4-phenylquinazolin-2-yl)naphthalen-1-yl]-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene
CID 140947121
26-[4-(4-phenylquinazolin-2-yl)naphthalen-1-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 139570743
12-[4-[3-[4-(3,5-diphenylphenyl)phenyl]quinoxalin-2-yl]naphthalen-1-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;12-[5-[3-[3-(4-phenylphenyl)phenyl]quinoxalin-2-yl]naphthalen-1-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;12-[5-[3-(3-phenylphenyl)quinoxalin-2-yl]naphthalen-1-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 158438400
1-benzo[a]carbazol-11-yl-5-[4-(3-naphthalen-2-ylquinoxalin-2-yl)naphthalen-1-yl]benzo[b]carbazole;1-benzo[a]carbazol-11-yl-5-[4-(3-phenylquinoxalin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 159790900
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
7-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,19-diazaoctacyclo[17.10.1.02,18.03,15.06,14.08,13.020,25.026,30]triaconta-1(29),2(18),3(15),4,6(14),8,10,12,16,20,22,24,26(30),27-tetradecaene
CID 134437111
2-[4-(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-tetradecaen-14-yl)naphthalen-1-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 149085173
9-(3-phenylphenyl)-12-[4-[3-[4-(3-phenylphenyl)phenyl]quinoxalin-2-yl]naphthalen-1-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;6-phenyl-12-[4-[3-[4-(4-phenylphenyl)phenyl]quinoxalin-2-yl]naphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene
CID 161423539
4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-1,4-diazaoctacyclo[17.10.1.02,18.03,11.05,10.012,17.023,30.024,29]triaconta-2(18),3(11),5,7,9,12,14,16,19,21,23(30),24,26,28-tetradecaene
CID 162507110
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
1-benzo[b]carbazol-5-yl-5-[5-[3-(3,5-diphenylphenyl)quinoxalin-2-yl]naphthalen-1-yl]benzo[b]carbazole;1-benzo[b]carbazol-5-yl-5-[5-[3-(4-phenylphenyl)quinoxalin-2-yl]naphthalen-1-yl]benzo[b]carbazole
CID 158497164
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2nc3ccccc3nc2-c2ccc(-n3c4ccccc4c4c5c6cccc7c8ccccc8n(c5ccc43)c76)c3ccccc23)cc1.
What is the InChIKey of 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?
The InChIKey is SGNCVDOMSLKUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28N4/c1-2-13-29(14-3-1)46-47(50-38-22-9-8-21-37(38)49-46)33-25-26-41(31-16-5-4-15-30(31)33)51-40-24-11-7-18-35(40)44-42(51)27-28-43-45(44)36-20-12-19-34-32-17-6-10-23-39(32)52(43)48(34)36/h1-28H.
What are the key properties of 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?
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 has a molecular weight of 660.78 g/mol, XLogP of 12.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 146843033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).