10-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)-6-oxa-19-azaoctacyclo[17.10.1.02,18.04,16.05,13.07,12.020,25.026,30]triaconta-1(29),2(18),3,5(13),7(12),8,10,14,16,20,22,24,26(30),27-tetradecaene

C52H29N3O — CID 142323862

IUPAC10-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)-6-oxa-19-azaoctacyclo[17.10.1.02,18.04,16.05,13.07,12.020,25.026,30]triaconta-1(29),2(18),3,5(13),7(12),8,10,14,16,20,22,24,26(30),27-tetradecaene
SMILESc1ccc2cc(-c3cc(-c4ccc5ccccc5c4)nc(-c4ccc5oc6c7cc8c9cccc%10c%11ccccc%11n(c8cc7ccc6c5c4)c%109)n3)ccc2c1
InChIInChI=1S/C52H29N3O/c1-3-10-32-24-35(18-16-30(32)8-1)45-29-46(36-19-17-31-9-2-4-11-33(31)25-36)54-52(53-45)37-21-23-49-44(26-37)41-22-20-34-27-48-43(28-42(34)51(41)56-49)40-14-7-13-39-38-12-5-6-15-47(38)55(48)50(39)40/h1-29H
InChIKeyDHLIPAADQLDHLY-UHFFFAOYSA-N
MW711.82 g/mol
LogP13.99
Rot. Bonds3

About 10-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)-6-oxa-19-azaoctacyclo[17.10.1.02,18.04,16.05,13.07,12.020,25.026,30]triaconta-1(29),2(18),3,5(13),7(12),8,10,14,16,20,22,24,26(30),27-tetradecaene

10-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)-6-oxa-19-azaoctacyclo[17.10.1.02,18.04,16.05,13.07,12.020,25.026,30]triaconta-1(29),2(18),3,5(13),7(12),8,10,14,16,20,22,24,26(30),27-tetradecaene (PubChem CID 142323862) has the molecular formula C52H29N3O and a molecular weight of 711.82 g/mol. Its IUPAC name is 10-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)-6-oxa-19-azaoctacyclo[17.10.1.02,18.04,16.05,13.07,12.020,25.026,30]triaconta-1(29),2(18),3,5(13),7(12),8,10,14,16,20,22,24,26(30),27-tetradecaene.

Molecular Properties

Compound Name10-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)-6-oxa-19-azaoctacyclo[17.10.1.02,18.04,16.05,13.07,12.020,25.026,30]triaconta-1(29),2(18),3,5(13),7(12),8,10,14,16,20,22,24,26(30),27-tetradecaene
PubChem CID142323862
Molecular FormulaC52H29N3O
Molecular Weight711.82 g/mol
Exact Mass711.23
IUPAC Name10-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)-6-oxa-19-azaoctacyclo[17.10.1.02,18.04,16.05,13.07,12.020,25.026,30]triaconta-1(29),2(18),3,5(13),7(12),8,10,14,16,20,22,24,26(30),27-tetradecaene
SMILESc1ccc2cc(-c3cc(-c4ccc5ccccc5c4)nc(-c4ccc5oc6c7cc8c9cccc%10c%11ccccc%11n(c8cc7ccc6c5c4)c%109)n3)ccc2c1
InChIInChI=1S/C52H29N3O/c1-3-10-32-24-35(18-16-30(32)8-1)45-29-46(36-19-17-31-9-2-4-11-33(31)25-36)54-52(53-45)37-21-23-49-44(26-37)41-22-20-34-27-48-43(28-42(34)51(41)56-49)40-14-7-13-39-38-12-5-6-15-47(38)55(48)50(39)40/h1-29H
InChIKeyDHLIPAADQLDHLY-UHFFFAOYSA-N
XLogP13.99
TPSA43.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500711.82
LogP ≤ 513.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 10-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)-6-oxa-19-azaoctacyclo[17.10.1.02,18.04,16.05,13.07,12.020,25.026,30]triaconta-1(29),2(18),3,5(13),7(12),8,10,14,16,20,22,24,26(30),27-tetradecaene with MolForge

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Related Compounds

27-dibenzofuran-2-yl-6-oxa-1-azaoctacyclo[17.10.1.02,18.04,16.05,13.07,12.023,30.024,29]triaconta-2(18),3,5(13),7,9,11,14,16,19,21,23(30),24(29),25,27-tetradecaene
CID 134434013
10-[8-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)dibenzofuran-4-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
CID 148608191
2-dibenzofuran-3-yl-4-[3-[3-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine;2,4-di(dibenzofuran-3-yl)-6-[3-[3-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-1,3,5-triazine;2-[3-[3-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-4-naphtho[1,2-b][1]benzofuran-9-yl-6-phenyl-1,3,5-triazine;2-[3-[3-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-4-naphtho[2,3-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazine
CID 158877540
4-[3-(3-naphtho[1,2-b][1]benzofuran-8-ylphenyl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 142293803
4-(2,6-diphenylpyrimidin-4-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 159186734
4-[3-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 176758762
1-(4-dibenzofuran-2-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-9-naphthalen-2-ylcarbazole
CID 170534647
2,4-dinaphthalen-2-yl-6-[3-[3-(6-naphtho[1,2-b][1]benzofuran-9-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-1,3,5-triazine
CID 154614133
3-(4-naphthalen-2-yl-6-naphtho[2,3-b][1]benzofuran-2-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole
CID 163772071
26-oxa-1-azaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.019,27.020,25]triaconta-2,4,6,8,10,12(30),13,15,17(29),18,20,22,24,27-tetradecaene
CID 146376243
4-(10-naphthalen-2-ylanthracen-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 134252656
4-[3-[3-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]phenyl]-5-phenylphenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 176758840

Frequently Asked Questions

What is the IUPAC name of 10-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)-6-oxa-19-azaoctacyclo[17.10.1.02,18.04,16.05,13.07,12.020,25.026,30]triaconta-1(29),2(18),3,5(13),7(12),8,10,14,16,20,22,24,26(30),27-tetradecaene?
The IUPAC name of 10-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)-6-oxa-19-azaoctacyclo[17.10.1.02,18.04,16.05,13.07,12.020,25.026,30]triaconta-1(29),2(18),3,5(13),7(12),8,10,14,16,20,22,24,26(30),27-tetradecaene (CID 142323862) is 10-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)-6-oxa-19-azaoctacyclo[17.10.1.02,18.04,16.05,13.07,12.020,25.026,30]triaconta-1(29),2(18),3,5(13),7(12),8,10,14,16,20,22,24,26(30),27-tetradecaene.
What is the SMILES notation for 10-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)-6-oxa-19-azaoctacyclo[17.10.1.02,18.04,16.05,13.07,12.020,25.026,30]triaconta-1(29),2(18),3,5(13),7(12),8,10,14,16,20,22,24,26(30),27-tetradecaene?
The canonical SMILES for 10-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)-6-oxa-19-azaoctacyclo[17.10.1.02,18.04,16.05,13.07,12.020,25.026,30]triaconta-1(29),2(18),3,5(13),7(12),8,10,14,16,20,22,24,26(30),27-tetradecaene is c1ccc2cc(-c3cc(-c4ccc5ccccc5c4)nc(-c4ccc5oc6c7cc8c9cccc%10c%11ccccc%11n(c8cc7ccc6c5c4)c%109)n3)ccc2c1.
What is the InChIKey of 10-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)-6-oxa-19-azaoctacyclo[17.10.1.02,18.04,16.05,13.07,12.020,25.026,30]triaconta-1(29),2(18),3,5(13),7(12),8,10,14,16,20,22,24,26(30),27-tetradecaene?
The InChIKey is DHLIPAADQLDHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H29N3O/c1-3-10-32-24-35(18-16-30(32)8-1)45-29-46(36-19-17-31-9-2-4-11-33(31)25-36)54-52(53-45)37-21-23-49-44(26-37)41-22-20-34-27-48-43(28-42(34)51(41)56-49)40-14-7-13-39-38-12-5-6-15-47(38)55(48)50(39)40/h1-29H.
What are the key properties of 10-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)-6-oxa-19-azaoctacyclo[17.10.1.02,18.04,16.05,13.07,12.020,25.026,30]triaconta-1(29),2(18),3,5(13),7(12),8,10,14,16,20,22,24,26(30),27-tetradecaene?
10-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)-6-oxa-19-azaoctacyclo[17.10.1.02,18.04,16.05,13.07,12.020,25.026,30]triaconta-1(29),2(18),3,5(13),7(12),8,10,14,16,20,22,24,26(30),27-tetradecaene has a molecular weight of 711.82 g/mol, XLogP of 13.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)-6-oxa-19-azaoctacyclo[17.10.1.02,18.04,16.05,13.07,12.020,25.026,30]triaconta-1(29),2(18),3,5(13),7(12),8,10,14,16,20,22,24,26(30),27-tetradecaene is sourced from PubChem (CID 142323862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).