6-[3-(3-naphthalen-2-ylphenyl)quinoxalin-2-yl]spiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaene-18,9'-fluorene]

C53H31N3 — CID 170668247

IUPAC6-[3-(3-naphthalen-2-ylphenyl)quinoxalin-2-yl]spiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaene-18,9'-fluorene]
SMILESc1cc(-c2ccc3ccccc3c2)cc(-c2nc3ccccc3nc2-n2c3cccc4c3c3c5c(cccc5ccc32)C42c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C53H31N3/c1-2-13-34-30-36(27-26-32(34)12-1)35-15-9-16-37(31-35)51-52(55-45-24-8-7-23-44(45)54-51)56-46-25-11-22-43-49(46)50-47(56)29-28-33-14-10-21-42(48(33)50)53(43)40-19-5-3-17-38(40)39-18-4-6-20-41(39)53/h1-31H
InChIKeyKQJVSFQDSZEVOD-UHFFFAOYSA-N
MW709.85 g/mol
LogP13.04
Rot. Bonds3

About 6-[3-(3-naphthalen-2-ylphenyl)quinoxalin-2-yl]spiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaene-18,9'-fluorene]

6-[3-(3-naphthalen-2-ylphenyl)quinoxalin-2-yl]spiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaene-18,9'-fluorene] (PubChem CID 170668247) has the molecular formula C53H31N3 and a molecular weight of 709.85 g/mol. Its IUPAC name is 6-[3-(3-naphthalen-2-ylphenyl)quinoxalin-2-yl]spiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaene-18,9'-fluorene].

Molecular Properties

Compound Name6-[3-(3-naphthalen-2-ylphenyl)quinoxalin-2-yl]spiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaene-18,9'-fluorene]
PubChem CID170668247
Molecular FormulaC53H31N3
Molecular Weight709.85 g/mol
Exact Mass709.25
IUPAC Name6-[3-(3-naphthalen-2-ylphenyl)quinoxalin-2-yl]spiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaene-18,9'-fluorene]
SMILESc1cc(-c2ccc3ccccc3c2)cc(-c2nc3ccccc3nc2-n2c3cccc4c3c3c5c(cccc5ccc32)C42c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C53H31N3/c1-2-13-34-30-36(27-26-32(34)12-1)35-15-9-16-37(31-35)51-52(55-45-24-8-7-23-44(45)54-51)56-46-25-11-22-43-49(46)50-47(56)29-28-33-14-10-21-42(48(33)50)53(43)40-19-5-3-17-38(40)39-18-4-6-20-41(39)53/h1-31H
InChIKeyKQJVSFQDSZEVOD-UHFFFAOYSA-N
XLogP13.04
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500709.85
LogP ≤ 513.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-[3-(3-naphthalen-2-ylphenyl)quinoxalin-2-yl]spiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaene-18,9'-fluorene] with MolForge

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Related Compounds

6-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)spiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaene-18,9'-fluorene]
CID 170668133
15-[3-(9,9-diphenylfluoren-2-yl)quinoxalin-2-yl]-15-azaheptacyclo[12.11.0.02,11.03,8.04,23.016,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,16(25),17,19(24),20,22-dodecaene
CID 162770205
23-(3-naphthalen-2-ylquinoxalin-2-yl)-3-phenyl-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2,4,6,8(13),9,11,14,16,18(22),19-undecaene
CID 164840602
10-carbazol-9-yl-7-[3-(3-naphthalen-1-ylphenyl)quinoxalin-2-yl]benzo[c]carbazole;10-carbazol-9-yl-7-[3-(3-naphthalen-2-ylphenyl)quinoxalin-2-yl]benzo[c]carbazole
CID 163468032
9-naphthalen-2-yl-12-[3-[3-(4-phenylphenyl)phenyl]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;7-phenyl-12-[3-(3-phenylphenyl)quinoxalin-2-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;9-phenyl-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;9-phenyl-12-(3-phenylquinoxalin-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 161319849
6-[4-phenyl-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]spiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaene-18,9'-fluorene]
CID 170668131
1-(9,9-dimethylfluoren-4-yl)-5-(3-naphthalen-2-yl-6-phenylquinoxalin-2-yl)benzo[b]carbazole;5-[3-(9,9-dimethylfluoren-4-yl)-6-phenylquinoxalin-2-yl]-3-naphthalen-2-ylbenzo[b]carbazole;2-naphthalen-2-yl-5-[6-phenyl-3-(4-phenylphenyl)quinoxalin-2-yl]benzo[b]carbazole
CID 161055075
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
15-[3-(9,9-dimethylfluoren-2-yl)quinoxalin-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 162770065
26,26-dimethyl-25-[3-(3-phenylphenyl)quinoxalin-2-yl]-25-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene;26,26-dimethyl-25-[3-(4-phenylphenyl)quinoxalin-2-yl]-25-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene;26,26-dimethyl-25-(3-phenylquinoxalin-2-yl)-25-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene
CID 163885191
6-[5-(4-phenylquinazolin-2-yl)naphthalen-1-yl]spiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaene-18,9'-fluorene]
CID 170668224
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

Frequently Asked Questions

What is the IUPAC name of 6-[3-(3-naphthalen-2-ylphenyl)quinoxalin-2-yl]spiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaene-18,9'-fluorene]?
The IUPAC name of 6-[3-(3-naphthalen-2-ylphenyl)quinoxalin-2-yl]spiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaene-18,9'-fluorene] (CID 170668247) is 6-[3-(3-naphthalen-2-ylphenyl)quinoxalin-2-yl]spiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaene-18,9'-fluorene].
What is the SMILES notation for 6-[3-(3-naphthalen-2-ylphenyl)quinoxalin-2-yl]spiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaene-18,9'-fluorene]?
The canonical SMILES for 6-[3-(3-naphthalen-2-ylphenyl)quinoxalin-2-yl]spiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaene-18,9'-fluorene] is c1cc(-c2ccc3ccccc3c2)cc(-c2nc3ccccc3nc2-n2c3cccc4c3c3c5c(cccc5ccc32)C42c3ccccc3-c3ccccc32)c1.
What is the InChIKey of 6-[3-(3-naphthalen-2-ylphenyl)quinoxalin-2-yl]spiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaene-18,9'-fluorene]?
The InChIKey is KQJVSFQDSZEVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H31N3/c1-2-13-34-30-36(27-26-32(34)12-1)35-15-9-16-37(31-35)51-52(55-45-24-8-7-23-44(45)54-51)56-46-25-11-22-43-49(46)50-47(56)29-28-33-14-10-21-42(48(33)50)53(43)40-19-5-3-17-38(40)39-18-4-6-20-41(39)53/h1-31H.
What are the key properties of 6-[3-(3-naphthalen-2-ylphenyl)quinoxalin-2-yl]spiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaene-18,9'-fluorene]?
6-[3-(3-naphthalen-2-ylphenyl)quinoxalin-2-yl]spiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaene-18,9'-fluorene] has a molecular weight of 709.85 g/mol, XLogP of 13.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(3-naphthalen-2-ylphenyl)quinoxalin-2-yl]spiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaene-18,9'-fluorene] is sourced from PubChem (CID 170668247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).