14-naphthalen-2-yl-25-oxa-1,3-diazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.018,26.019,24]triaconta-2,4,6,8,10,12(30),13,15,17(29),18(26),19,21,23,27-tetradecaene;21-naphthalen-1-yl-25-oxa-1,3-diazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.018,26.019,24]triaconta-2,4,6,8,10,12(30),13,15,17(29),18(26),19(24),20,22,27-tetradecaene;21-phenyl-25-oxa-1,3,10-triazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.018,26.019,24]triaconta-2,4,6,8,10,12,14,16(30),17(29),18(26),19(24),20,22,27-tetradecaene

C106H57N7O3 — CID 157071967

IUPAC14-naphthalen-2-yl-25-oxa-1,3-diazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.018,26.019,24]triaconta-2,4,6,8,10,12(30),13,15,17(29),18(26),19,21,23,27-tetradecaene;21-naphthalen-1-yl-25-oxa-1,3-diazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.018,26.019,24]triaconta-2,4,6,8,10,12(30),13,15,17(29),18(26),19(24),20,22,27-tetradecaene;21-phenyl-25-oxa-1,3,10-triazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.018,26.019,24]triaconta-2,4,6,8,10,12,14,16(30),17(29),18(26),19(24),20,22,27-tetradecaene
SMILESc1ccc(-c2ccc3oc4ccc5c(c6cccc7c8nc9ccccc9nc8n5c76)c4c3c2)cc1.c1ccc2cc(-c3cc4c5cc6ccccc6nc5n5c6ccc7oc8ccccc8c7c6c(c3)c45)ccc2c1.c1ccc2nc3c(cc2c1)c1cccc2c4c5c(ccc4n3c12)oc1ccc(-c2cccc3ccccc23)cc15
InChIInChI=1S/2C37H20N2O.C32H17N3O/c1-3-10-24-21(7-1)9-5-11-25(24)22-15-17-32-29(19-22)35-33(40-32)18-16-31-34(35)27-13-6-12-26-28-20-23-8-2-4-14-30(23)38-37(28)39(31)36(26)27;1-2-8-22-17-23(14-13-21(22)7-1)25-19-27-28-18-24-9-3-5-11-30(24)38-37(28)39-31-15-16-33-35(34(31)29(20-25)36(27)39)26-10-4-6-12-32(26)40-33;1-2-7-18(8-3-1)19-13-15-26-22(17-19)29-27(36-26)16-14-25-28(29)20-9-6-10-21-30-32(35(25)31(20)21)34-24-12-5-4-11-23(24)33-30/h2*1-20H;1-17H
InChIKeyACNOVNMLRVZUEG-UHFFFAOYSA-N
MW1476.67 g/mol
LogP28.56
Rot. Bonds3

About 14-naphthalen-2-yl-25-oxa-1,3-diazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.018,26.019,24]triaconta-2,4,6,8,10,12(30),13,15,17(29),18(26),19,21,23,27-tetradecaene;21-naphthalen-1-yl-25-oxa-1,3-diazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.018,26.019,24]triaconta-2,4,6,8,10,12(30),13,15,17(29),18(26),19(24),20,22,27-tetradecaene;21-phenyl-25-oxa-1,3,10-triazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.018,26.019,24]triaconta-2,4,6,8,10,12,14,16(30),17(29),18(26),19(24),20,22,27-tetradecaene

14-naphthalen-2-yl-25-oxa-1,3-diazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.018,26.019,24]triaconta-2,4,6,8,10,12(30),13,15,17(29),18(26),19,21,23,27-tetradecaene;21-naphthalen-1-yl-25-oxa-1,3-diazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.018,26.019,24]triaconta-2,4,6,8,10,12(30),13,15,17(29),18(26),19(24),20,22,27-tetradecaene;21-phenyl-25-oxa-1,3,10-triazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.018,26.019,24]triaconta-2,4,6,8,10,12,14,16(30),17(29),18(26),19(24),20,22,27-tetradecaene (PubChem CID 157071967) has the molecular formula C106H57N7O3 and a molecular weight of 1476.67 g/mol. Its IUPAC name is 14-naphthalen-2-yl-25-oxa-1,3-diazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.018,26.019,24]triaconta-2,4,6,8,10,12(30),13,15,17(29),18(26),19,21,23,27-tetradecaene;21-naphthalen-1-yl-25-oxa-1,3-diazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.018,26.019,24]triaconta-2,4,6,8,10,12(30),13,15,17(29),18(26),19(24),20,22,27-tetradecaene;21-phenyl-25-oxa-1,3,10-triazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.018,26.019,24]triaconta-2,4,6,8,10,12,14,16(30),17(29),18(26),19(24),20,22,27-tetradecaene.

Molecular Properties

Compound Name14-naphthalen-2-yl-25-oxa-1,3-diazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.018,26.019,24]triaconta-2,4,6,8,10,12(30),13,15,17(29),18(26),19,21,23,27-tetradecaene;21-naphthalen-1-yl-25-oxa-1,3-diazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.018,26.019,24]triaconta-2,4,6,8,10,12(30),13,15,17(29),18(26),19(24),20,22,27-tetradecaene;21-phenyl-25-oxa-1,3,10-triazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.018,26.019,24]triaconta-2,4,6,8,10,12,14,16(30),17(29),18(26),19(24),20,22,27-tetradecaene
PubChem CID157071967
Molecular FormulaC106H57N7O3
Molecular Weight1476.67 g/mol
Exact Mass1475.45
IUPAC Name14-naphthalen-2-yl-25-oxa-1,3-diazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.018,26.019,24]triaconta-2,4,6,8,10,12(30),13,15,17(29),18(26),19,21,23,27-tetradecaene;21-naphthalen-1-yl-25-oxa-1,3-diazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.018,26.019,24]triaconta-2,4,6,8,10,12(30),13,15,17(29),18(26),19(24),20,22,27-tetradecaene;21-phenyl-25-oxa-1,3,10-triazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.018,26.019,24]triaconta-2,4,6,8,10,12,14,16(30),17(29),18(26),19(24),20,22,27-tetradecaene
SMILESc1ccc(-c2ccc3oc4ccc5c(c6cccc7c8nc9ccccc9nc8n5c76)c4c3c2)cc1.c1ccc2cc(-c3cc4c5cc6ccccc6nc5n5c6ccc7oc8ccccc8c7c6c(c3)c45)ccc2c1.c1ccc2nc3c(cc2c1)c1cccc2c4c5c(ccc4n3c12)oc1ccc(-c2cccc3ccccc23)cc15
InChIInChI=1S/2C37H20N2O.C32H17N3O/c1-3-10-24-21(7-1)9-5-11-25(24)22-15-17-32-29(19-22)35-33(40-32)18-16-31-34(35)27-13-6-12-26-28-20-23-8-2-4-14-30(23)38-37(28)39(31)36(26)27;1-2-8-22-17-23(14-13-21(22)7-1)25-19-27-28-18-24-9-3-5-11-30(24)38-37(28)39-31-15-16-33-35(34(31)29(20-25)36(27)39)26-10-4-6-12-32(26)40-33;1-2-7-18(8-3-1)19-13-15-26-22(17-19)29-27(36-26)16-14-25-28(29)20-9-6-10-21-30-32(35(25)31(20)21)34-24-12-5-4-11-23(24)33-30/h2*1-20H;1-17H
InChIKeyACNOVNMLRVZUEG-UHFFFAOYSA-N
XLogP28.56
TPSA104.21 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms116
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001476.67
LogP ≤ 528.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 14-naphthalen-2-yl-25-oxa-1,3-diazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.018,26.019,24]triaconta-2,4,6,8,10,12(30),13,15,17(29),18(26),19,21,23,27-tetradecaene;21-naphthalen-1-yl-25-oxa-1,3-diazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.018,26.019,24]triaconta-2,4,6,8,10,12(30),13,15,17(29),18(26),19(24),20,22,27-tetradecaene;21-phenyl-25-oxa-1,3,10-triazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.018,26.019,24]triaconta-2,4,6,8,10,12,14,16(30),17(29),18(26),19(24),20,22,27-tetradecaene with MolForge

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Related Compounds

6-phenyl-25-oxa-1,3,10-triazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.018,26.019,24]triaconta-2,4(9),5,7,10,12,14,16(30),17(29),18(26),19,21,23,27-tetradecaene
CID 129092434
24-naphthalen-1-yl-20-oxa-1,3,10-triazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.019,27.021,26]triaconta-2,4,6,8,10,12,14,16(30),17(29),18,21(26),22,24,27-tetradecaene
CID 129092614
2-(8-naphthalen-1-yldibenzofuran-1-yl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine
CID 166741458
2-naphthalen-2-yl-4-(4-naphthalen-1-ylphenyl)-6-[2-(8-phenyldibenzofuran-1-yl)phenyl]-1,3,5-triazine
CID 166743108
2-naphthalen-2-yl-4-(4-naphthalen-1-ylphenyl)-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166742908
2-naphthalen-2-yl-4-(8-naphthalen-1-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166741491
15-dibenzofuran-2-yl-3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,10,13(18),14,16,19(23),20-undecaene
CID 126577892
2-[7-[8-(3,5-diphenylphenyl)dibenzofuran-1-yl]naphthalen-2-yl]-4-naphthalen-2-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 167181759
10-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;10-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;10-[10-(3-phenylphenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;10-[10-(4-phenylphenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran
CID 163827411
14-naphthalen-1-yl-27-oxa-1,3,10-triazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.020,28.021,26]triaconta-2,4,6,8,10,12,14,16(30),17(29),18,20(28),21,23,25-tetradecaene
CID 129092420
2,4-dinaphthalen-2-yl-6-(8-naphthalen-1-yldibenzofuran-1-yl)-1,3,5-triazine
CID 166742708
2-naphthalen-2-yl-4-(8-naphthalen-1-yldibenzofuran-1-yl)-6-phenanthren-9-yl-1,3,5-triazine
CID 166742425

Frequently Asked Questions

What is the IUPAC name of 14-naphthalen-2-yl-25-oxa-1,3-diazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.018,26.019,24]triaconta-2,4,6,8,10,12(30),13,15,17(29),18(26),19,21,23,27-tetradecaene;21-naphthalen-1-yl-25-oxa-1,3-diazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.018,26.019,24]triaconta-2,4,6,8,10,12(30),13,15,17(29),18(26),19(24),20,22,27-tetradecaene;21-phenyl-25-oxa-1,3,10-triazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.018,26.019,24]triaconta-2,4,6,8,10,12,14,16(30),17(29),18(26),19(24),20,22,27-tetradecaene?
The IUPAC name of 14-naphthalen-2-yl-25-oxa-1,3-diazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.018,26.019,24]triaconta-2,4,6,8,10,12(30),13,15,17(29),18(26),19,21,23,27-tetradecaene;21-naphthalen-1-yl-25-oxa-1,3-diazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.018,26.019,24]triaconta-2,4,6,8,10,12(30),13,15,17(29),18(26),19(24),20,22,27-tetradecaene;21-phenyl-25-oxa-1,3,10-triazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.018,26.019,24]triaconta-2,4,6,8,10,12,14,16(30),17(29),18(26),19(24),20,22,27-tetradecaene (CID 157071967) is 14-naphthalen-2-yl-25-oxa-1,3-diazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.018,26.019,24]triaconta-2,4,6,8,10,12(30),13,15,17(29),18(26),19,21,23,27-tetradecaene;21-naphthalen-1-yl-25-oxa-1,3-diazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.018,26.019,24]triaconta-2,4,6,8,10,12(30),13,15,17(29),18(26),19(24),20,22,27-tetradecaene;21-phenyl-25-oxa-1,3,10-triazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.018,26.019,24]triaconta-2,4,6,8,10,12,14,16(30),17(29),18(26),19(24),20,22,27-tetradecaene.
What is the SMILES notation for 14-naphthalen-2-yl-25-oxa-1,3-diazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.018,26.019,24]triaconta-2,4,6,8,10,12(30),13,15,17(29),18(26),19,21,23,27-tetradecaene;21-naphthalen-1-yl-25-oxa-1,3-diazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.018,26.019,24]triaconta-2,4,6,8,10,12(30),13,15,17(29),18(26),19(24),20,22,27-tetradecaene;21-phenyl-25-oxa-1,3,10-triazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.018,26.019,24]triaconta-2,4,6,8,10,12,14,16(30),17(29),18(26),19(24),20,22,27-tetradecaene?
The canonical SMILES for 14-naphthalen-2-yl-25-oxa-1,3-diazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.018,26.019,24]triaconta-2,4,6,8,10,12(30),13,15,17(29),18(26),19,21,23,27-tetradecaene;21-naphthalen-1-yl-25-oxa-1,3-diazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.018,26.019,24]triaconta-2,4,6,8,10,12(30),13,15,17(29),18(26),19(24),20,22,27-tetradecaene;21-phenyl-25-oxa-1,3,10-triazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.018,26.019,24]triaconta-2,4,6,8,10,12,14,16(30),17(29),18(26),19(24),20,22,27-tetradecaene is c1ccc(-c2ccc3oc4ccc5c(c6cccc7c8nc9ccccc9nc8n5c76)c4c3c2)cc1.c1ccc2cc(-c3cc4c5cc6ccccc6nc5n5c6ccc7oc8ccccc8c7c6c(c3)c45)ccc2c1.c1ccc2nc3c(cc2c1)c1cccc2c4c5c(ccc4n3c12)oc1ccc(-c2cccc3ccccc23)cc15.
What is the InChIKey of 14-naphthalen-2-yl-25-oxa-1,3-diazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.018,26.019,24]triaconta-2,4,6,8,10,12(30),13,15,17(29),18(26),19,21,23,27-tetradecaene;21-naphthalen-1-yl-25-oxa-1,3-diazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.018,26.019,24]triaconta-2,4,6,8,10,12(30),13,15,17(29),18(26),19(24),20,22,27-tetradecaene;21-phenyl-25-oxa-1,3,10-triazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.018,26.019,24]triaconta-2,4,6,8,10,12,14,16(30),17(29),18(26),19(24),20,22,27-tetradecaene?
The InChIKey is ACNOVNMLRVZUEG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C37H20N2O.C32H17N3O/c1-3-10-24-21(7-1)9-5-11-25(24)22-15-17-32-29(19-22)35-33(40-32)18-16-31-34(35)27-13-6-12-26-28-20-23-8-2-4-14-30(23)38-37(28)39(31)36(26)27;1-2-8-22-17-23(14-13-21(22)7-1)25-19-27-28-18-24-9-3-5-11-30(24)38-37(28)39-31-15-16-33-35(34(31)29(20-25)36(27)39)26-10-4-6-12-32(26)40-33;1-2-7-18(8-3-1)19-13-15-26-22(17-19)29-27(36-26)16-14-25-28(29)20-9-6-10-21-30-32(35(25)31(20)21)34-24-12-5-4-11-23(24)33-30/h2*1-20H;1-17H.
What are the key properties of 14-naphthalen-2-yl-25-oxa-1,3-diazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.018,26.019,24]triaconta-2,4,6,8,10,12(30),13,15,17(29),18(26),19,21,23,27-tetradecaene;21-naphthalen-1-yl-25-oxa-1,3-diazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.018,26.019,24]triaconta-2,4,6,8,10,12(30),13,15,17(29),18(26),19(24),20,22,27-tetradecaene;21-phenyl-25-oxa-1,3,10-triazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.018,26.019,24]triaconta-2,4,6,8,10,12,14,16(30),17(29),18(26),19(24),20,22,27-tetradecaene?
14-naphthalen-2-yl-25-oxa-1,3-diazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.018,26.019,24]triaconta-2,4,6,8,10,12(30),13,15,17(29),18(26),19,21,23,27-tetradecaene;21-naphthalen-1-yl-25-oxa-1,3-diazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.018,26.019,24]triaconta-2,4,6,8,10,12(30),13,15,17(29),18(26),19(24),20,22,27-tetradecaene;21-phenyl-25-oxa-1,3,10-triazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.018,26.019,24]triaconta-2,4,6,8,10,12,14,16(30),17(29),18(26),19(24),20,22,27-tetradecaene has a molecular weight of 1476.67 g/mol, XLogP of 28.56, 3 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 14-naphthalen-2-yl-25-oxa-1,3-diazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.018,26.019,24]triaconta-2,4,6,8,10,12(30),13,15,17(29),18(26),19,21,23,27-tetradecaene;21-naphthalen-1-yl-25-oxa-1,3-diazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.018,26.019,24]triaconta-2,4,6,8,10,12(30),13,15,17(29),18(26),19(24),20,22,27-tetradecaene;21-phenyl-25-oxa-1,3,10-triazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.018,26.019,24]triaconta-2,4,6,8,10,12,14,16(30),17(29),18(26),19(24),20,22,27-tetradecaene is sourced from PubChem (CID 157071967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).