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

C46H27N3 — CID 164840602

IUPAC23-(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
SMILESc1ccc(-c2ccc3c4c2-c2cccc5cccc(c25)-c2cccc(c24)n3-c2nc3ccccc3nc2-c2ccc3ccccc3c2)cc1
InChIInChI=1S/C46H27N3/c1-2-12-29(13-3-1)33-25-26-40-44-42(33)36-19-9-16-30-15-8-17-34(41(30)36)35-18-10-22-39(43(35)44)49(40)46-45(47-37-20-6-7-21-38(37)48-46)32-24-23-28-11-4-5-14-31(28)27-32/h1-27H
InChIKeyDDTUAGQDNZNRTP-UHFFFAOYSA-N
MW621.74 g/mol
LogP12.01
Rot. Bonds3

About 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

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 (PubChem CID 164840602) has the molecular formula C46H27N3 and a molecular weight of 621.74 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name23-(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
PubChem CID164840602
Molecular FormulaC46H27N3
Molecular Weight621.74 g/mol
Exact Mass621.22
IUPAC Name23-(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
SMILESc1ccc(-c2ccc3c4c2-c2cccc5cccc(c25)-c2cccc(c24)n3-c2nc3ccccc3nc2-c2ccc3ccccc3c2)cc1
InChIInChI=1S/C46H27N3/c1-2-12-29(13-3-1)33-25-26-40-44-42(33)36-19-9-16-30-15-8-17-34(41(30)36)35-18-10-22-39(43(35)44)49(40)46-45(47-37-20-6-7-21-38(37)48-46)32-24-23-28-11-4-5-14-31(28)27-32/h1-27H
InChIKeyDDTUAGQDNZNRTP-UHFFFAOYSA-N
XLogP12.01
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500621.74
LogP ≤ 512.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 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 with MolForge

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Related Compounds

22-phenyl-18-(3-phenylquinoxalin-2-yl)-18-azaheptacyclo[12.11.0.02,11.03,8.04,23.017,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),19(24),20,22-dodecaene
CID 162770291
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
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
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
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
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
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
11-(3-naphthalen-2-ylquinoxalin-2-yl)-7-(9-phenylcarbazol-4-yl)benzo[a]carbazole
CID 155114316
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
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
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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2ccc3c4c2-c2cccc5cccc(c25)-c2cccc(c24)n3-c2nc3ccccc3nc2-c2ccc3ccccc3c2)cc1.
What is the InChIKey of 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?
The InChIKey is DDTUAGQDNZNRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H27N3/c1-2-12-29(13-3-1)33-25-26-40-44-42(33)36-19-9-16-30-15-8-17-34(41(30)36)35-18-10-22-39(43(35)44)49(40)46-45(47-37-20-6-7-21-38(37)48-46)32-24-23-28-11-4-5-14-31(28)27-32/h1-27H.
What are the key properties of 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?
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 has a molecular weight of 621.74 g/mol, XLogP of 12.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 164840602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).