12-(3-phenylpyrazin-2-yl)-10-oxa-21-azaoctacyclo[19.10.1.02,14.03,11.04,9.015,20.022,27.028,32]dotriaconta-1(31),2,4,6,8,11,13,15,17,19,22,24,26,28(32),29-pentadecaene

C40H23N3O — CID 168728530

IUPAC12-(3-phenylpyrazin-2-yl)-10-oxa-21-azaoctacyclo[19.10.1.02,14.03,11.04,9.015,20.022,27.028,32]dotriaconta-1(31),2,4,6,8,11,13,15,17,19,22,24,26,28(32),29-pentadecaene
SMILESc1ccc(-c2nccnc2-c2cc3c(c4c2oc2ccccc24)-c2cccc4c5ccccc5n(c24)-c2ccccc2-3)cc1
InChIInChI=1S/C40H23N3O/c1-2-11-24(12-3-1)37-38(42-22-21-41-37)31-23-30-26-14-5-8-19-33(26)43-32-18-7-4-13-25(32)27-16-10-17-29(39(27)43)35(30)36-28-15-6-9-20-34(28)44-40(31)36/h1-23H
InChIKeyDRCPYAPGXLLMMS-UHFFFAOYSA-N
MW561.64 g/mol
LogP10.45
Rot. Bonds2

About 12-(3-phenylpyrazin-2-yl)-10-oxa-21-azaoctacyclo[19.10.1.02,14.03,11.04,9.015,20.022,27.028,32]dotriaconta-1(31),2,4,6,8,11,13,15,17,19,22,24,26,28(32),29-pentadecaene

12-(3-phenylpyrazin-2-yl)-10-oxa-21-azaoctacyclo[19.10.1.02,14.03,11.04,9.015,20.022,27.028,32]dotriaconta-1(31),2,4,6,8,11,13,15,17,19,22,24,26,28(32),29-pentadecaene (PubChem CID 168728530) has the molecular formula C40H23N3O and a molecular weight of 561.64 g/mol. Its IUPAC name is 12-(3-phenylpyrazin-2-yl)-10-oxa-21-azaoctacyclo[19.10.1.02,14.03,11.04,9.015,20.022,27.028,32]dotriaconta-1(31),2,4,6,8,11,13,15,17,19,22,24,26,28(32),29-pentadecaene.

Molecular Properties

Compound Name12-(3-phenylpyrazin-2-yl)-10-oxa-21-azaoctacyclo[19.10.1.02,14.03,11.04,9.015,20.022,27.028,32]dotriaconta-1(31),2,4,6,8,11,13,15,17,19,22,24,26,28(32),29-pentadecaene
PubChem CID168728530
Molecular FormulaC40H23N3O
Molecular Weight561.64 g/mol
Exact Mass561.18
IUPAC Name12-(3-phenylpyrazin-2-yl)-10-oxa-21-azaoctacyclo[19.10.1.02,14.03,11.04,9.015,20.022,27.028,32]dotriaconta-1(31),2,4,6,8,11,13,15,17,19,22,24,26,28(32),29-pentadecaene
SMILESc1ccc(-c2nccnc2-c2cc3c(c4c2oc2ccccc24)-c2cccc4c5ccccc5n(c24)-c2ccccc2-3)cc1
InChIInChI=1S/C40H23N3O/c1-2-11-24(12-3-1)37-38(42-22-21-41-37)31-23-30-26-14-5-8-19-33(26)43-32-18-7-4-13-25(32)27-16-10-17-29(39(27)43)35(30)36-28-15-6-9-20-34(28)44-40(31)36/h1-23H
InChIKeyDRCPYAPGXLLMMS-UHFFFAOYSA-N
XLogP10.45
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.64
LogP ≤ 510.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 12-(3-phenylpyrazin-2-yl)-10-oxa-21-azaoctacyclo[19.10.1.02,14.03,11.04,9.015,20.022,27.028,32]dotriaconta-1(31),2,4,6,8,11,13,15,17,19,22,24,26,28(32),29-pentadecaene with MolForge

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Related Compounds

N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-oxa-21-azaoctacyclo[19.10.1.02,14.03,11.05,10.015,20.022,27.028,32]dotriaconta-1(31),2(14),3(11),5(10),6,8,12,15,17,19,22,24,26,28(32),29-pentadecaen-6-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 167166983
2-(1,28-diazaoctacyclo[16.13.1.02,7.08,13.014,32.019,31.021,29.022,27]dotriaconta-2,4,6,8,10,12,14,16,18(32),19(31),20,22,24,26,29-pentadecaen-28-yl)-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 167185289
9-[2-(4-dibenzofuran-3-ylphenyl)phenyl]-1-phenylcarbazole
CID 166037266
N-[4-(2-carbazol-9-ylphenyl)phenyl]-3-dibenzofuran-4-yl-N-phenylaniline
CID 139544485
N-[4-(2-carbazol-9-ylphenyl)phenyl]-4-(3-dibenzofuran-4-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 139545181
19-phenyl-14-oxa-1,18-diazahexacyclo[10.9.1.02,7.08,22.013,21.015,20]docosa-2,4,6,8(22),9,11,13(21),15(20),16,18-decaene
CID 165161281
9-[2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]carbazole
CID 176773398
N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-dibenzofuran-1-yldibenzofuran-1-amine
CID 167322500
9-[2-[7-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]phenyl]carbazole
CID 170192949
N-[3-(4-oxa-21-azaoctacyclo[19.10.1.02,14.03,11.05,10.015,20.022,27.028,32]dotriaconta-1(31),2(14),3(11),5,7,9,12,15,17,19,22(27),23,25,28(32),29-pentadecaen-25-yl)phenyl]-7-[6-[N-[4-(4-oxa-21-azaoctacyclo[19.10.1.02,14.03,11.05,10.015,20.022,27.028,32]dotriaconta-1(31),2(14),3(11),5,7,9,12,15,17,19,22(27),23,25,28(32),29-pentadecaen-25-yl)phenyl]-4-(4-phenylphenyl)anilino]dibenzofuran-2-yl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 167166885
12-(2-dibenzofuran-2-ylphenyl)-[1]benzofuro[2,3-a]carbazole
CID 171612094
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-4-phenylaniline
CID 139545258

Frequently Asked Questions

What is the IUPAC name of 12-(3-phenylpyrazin-2-yl)-10-oxa-21-azaoctacyclo[19.10.1.02,14.03,11.04,9.015,20.022,27.028,32]dotriaconta-1(31),2,4,6,8,11,13,15,17,19,22,24,26,28(32),29-pentadecaene?
The IUPAC name of 12-(3-phenylpyrazin-2-yl)-10-oxa-21-azaoctacyclo[19.10.1.02,14.03,11.04,9.015,20.022,27.028,32]dotriaconta-1(31),2,4,6,8,11,13,15,17,19,22,24,26,28(32),29-pentadecaene (CID 168728530) is 12-(3-phenylpyrazin-2-yl)-10-oxa-21-azaoctacyclo[19.10.1.02,14.03,11.04,9.015,20.022,27.028,32]dotriaconta-1(31),2,4,6,8,11,13,15,17,19,22,24,26,28(32),29-pentadecaene.
What is the SMILES notation for 12-(3-phenylpyrazin-2-yl)-10-oxa-21-azaoctacyclo[19.10.1.02,14.03,11.04,9.015,20.022,27.028,32]dotriaconta-1(31),2,4,6,8,11,13,15,17,19,22,24,26,28(32),29-pentadecaene?
The canonical SMILES for 12-(3-phenylpyrazin-2-yl)-10-oxa-21-azaoctacyclo[19.10.1.02,14.03,11.04,9.015,20.022,27.028,32]dotriaconta-1(31),2,4,6,8,11,13,15,17,19,22,24,26,28(32),29-pentadecaene is c1ccc(-c2nccnc2-c2cc3c(c4c2oc2ccccc24)-c2cccc4c5ccccc5n(c24)-c2ccccc2-3)cc1.
What is the InChIKey of 12-(3-phenylpyrazin-2-yl)-10-oxa-21-azaoctacyclo[19.10.1.02,14.03,11.04,9.015,20.022,27.028,32]dotriaconta-1(31),2,4,6,8,11,13,15,17,19,22,24,26,28(32),29-pentadecaene?
The InChIKey is DRCPYAPGXLLMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H23N3O/c1-2-11-24(12-3-1)37-38(42-22-21-41-37)31-23-30-26-14-5-8-19-33(26)43-32-18-7-4-13-25(32)27-16-10-17-29(39(27)43)35(30)36-28-15-6-9-20-34(28)44-40(31)36/h1-23H.
What are the key properties of 12-(3-phenylpyrazin-2-yl)-10-oxa-21-azaoctacyclo[19.10.1.02,14.03,11.04,9.015,20.022,27.028,32]dotriaconta-1(31),2,4,6,8,11,13,15,17,19,22,24,26,28(32),29-pentadecaene?
12-(3-phenylpyrazin-2-yl)-10-oxa-21-azaoctacyclo[19.10.1.02,14.03,11.04,9.015,20.022,27.028,32]dotriaconta-1(31),2,4,6,8,11,13,15,17,19,22,24,26,28(32),29-pentadecaene has a molecular weight of 561.64 g/mol, XLogP of 10.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(3-phenylpyrazin-2-yl)-10-oxa-21-azaoctacyclo[19.10.1.02,14.03,11.04,9.015,20.022,27.028,32]dotriaconta-1(31),2,4,6,8,11,13,15,17,19,22,24,26,28(32),29-pentadecaene is sourced from PubChem (CID 168728530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).