14-(4-dibenzofuran-4-yl-5,5-dimethylindeno[1,2-d]pyrimidin-2-yl)-14,19-diazaoctacyclo[17.10.1.02,18.03,15.04,13.07,12.020,25.026,30]triaconta-1(29),2(18),3(15),4(13),5,7,9,11,16,20,22,24,26(30),27-tetradecaene

C53H32N4O — CID 149430182

IUPAC14-(4-dibenzofuran-4-yl-5,5-dimethylindeno[1,2-d]pyrimidin-2-yl)-14,19-diazaoctacyclo[17.10.1.02,18.03,15.04,13.07,12.020,25.026,30]triaconta-1(29),2(18),3(15),4(13),5,7,9,11,16,20,22,24,26(30),27-tetradecaene
SMILESCC1(C)c2ccccc2-c2nc(-n3c4ccc5c(c6cccc7c8ccccc8n5c76)c4c4ccc5ccccc5c43)nc(-c3cccc4c3oc3ccccc34)c21
InChIInChI=1S/C53H32N4O/c1-53(2)39-22-8-5-17-35(39)47-46(53)48(38-21-12-19-34-32-16-7-10-24-43(32)58-51(34)38)55-52(54-47)57-42-28-27-41-44(45(42)37-26-25-29-13-3-4-14-30(29)49(37)57)36-20-11-18-33-31-15-6-9-23-40(31)56(41)50(33)36/h3-28H,1-2H3
InChIKeyYUWWGVCNRGPBHG-UHFFFAOYSA-N
MW740.87 g/mol
LogP13.75
Rot. Bonds2

About 14-(4-dibenzofuran-4-yl-5,5-dimethylindeno[1,2-d]pyrimidin-2-yl)-14,19-diazaoctacyclo[17.10.1.02,18.03,15.04,13.07,12.020,25.026,30]triaconta-1(29),2(18),3(15),4(13),5,7,9,11,16,20,22,24,26(30),27-tetradecaene

14-(4-dibenzofuran-4-yl-5,5-dimethylindeno[1,2-d]pyrimidin-2-yl)-14,19-diazaoctacyclo[17.10.1.02,18.03,15.04,13.07,12.020,25.026,30]triaconta-1(29),2(18),3(15),4(13),5,7,9,11,16,20,22,24,26(30),27-tetradecaene (PubChem CID 149430182) has the molecular formula C53H32N4O and a molecular weight of 740.87 g/mol. Its IUPAC name is 14-(4-dibenzofuran-4-yl-5,5-dimethylindeno[1,2-d]pyrimidin-2-yl)-14,19-diazaoctacyclo[17.10.1.02,18.03,15.04,13.07,12.020,25.026,30]triaconta-1(29),2(18),3(15),4(13),5,7,9,11,16,20,22,24,26(30),27-tetradecaene.

Molecular Properties

Compound Name14-(4-dibenzofuran-4-yl-5,5-dimethylindeno[1,2-d]pyrimidin-2-yl)-14,19-diazaoctacyclo[17.10.1.02,18.03,15.04,13.07,12.020,25.026,30]triaconta-1(29),2(18),3(15),4(13),5,7,9,11,16,20,22,24,26(30),27-tetradecaene
PubChem CID149430182
Molecular FormulaC53H32N4O
Molecular Weight740.87 g/mol
Exact Mass740.26
IUPAC Name14-(4-dibenzofuran-4-yl-5,5-dimethylindeno[1,2-d]pyrimidin-2-yl)-14,19-diazaoctacyclo[17.10.1.02,18.03,15.04,13.07,12.020,25.026,30]triaconta-1(29),2(18),3(15),4(13),5,7,9,11,16,20,22,24,26(30),27-tetradecaene
SMILESCC1(C)c2ccccc2-c2nc(-n3c4ccc5c(c6cccc7c8ccccc8n5c76)c4c4ccc5ccccc5c43)nc(-c3cccc4c3oc3ccccc34)c21
InChIInChI=1S/C53H32N4O/c1-53(2)39-22-8-5-17-35(39)47-46(53)48(38-21-12-19-34-32-16-7-10-24-43(32)58-51(34)38)55-52(54-47)57-42-28-27-41-44(45(42)37-26-25-29-13-3-4-14-30(29)49(37)57)36-20-11-18-33-31-15-6-9-23-40(31)56(41)50(33)36/h3-28H,1-2H3
InChIKeyYUWWGVCNRGPBHG-UHFFFAOYSA-N
XLogP13.75
TPSA48.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.87
LogP ≤ 513.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 14-(4-dibenzofuran-4-yl-5,5-dimethylindeno[1,2-d]pyrimidin-2-yl)-14,19-diazaoctacyclo[17.10.1.02,18.03,15.04,13.07,12.020,25.026,30]triaconta-1(29),2(18),3(15),4(13),5,7,9,11,16,20,22,24,26(30),27-tetradecaene with MolForge

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Related Compounds

12-(5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidin-2-yl)-[1]benzofuro[2,3-a]carbazole
CID 130333810
30-(4-dibenzofuran-4-ylbenzo[h]quinazolin-2-yl)-1,30-diazaoctacyclo[14.12.1.121,24.02,11.03,8.012,29.017,22.023,28]triaconta-2(11),3,5,7,9,12,14,16(29),17(22),18,20,23,25,27-tetradecaene;30-[4-(9,9-dimethylfluoren-2-yl)benzo[h]quinazolin-2-yl]-1,30-diazaoctacyclo[14.12.1.121,24.02,11.03,8.012,29.017,22.023,28]triaconta-2(11),3,5,7,9,12,14,16(29),17(22),18,20,23,25,27-tetradecaene;30-(4-phenylbenzo[h]quinazolin-2-yl)-1,30-diazaoctacyclo[14.12.1.121,24.02,11.04,9.012,29.017,22.023,28]triaconta-2,4,6,8,10,12,14,16(29),17(22),18,20,23,25,27-tetradecaene
CID 159228482
26-(4-dibenzofuran-4-ylquinazolin-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 139570649
2-(13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-4-naphthalen-2-yl-[1]benzofuro[3,2-d]pyrimidine;2-(13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-4-naphthalen-2-yl-[1]benzothiolo[3,2-d]pyrimidine;13-(5,5-dimethyl-4-naphthalen-2-ylindeno[1,2-d]pyrimidin-2-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene
CID 163508793
12-(4-naphtho[1,2-b][1]benzofuran-10-ylquinazolin-2-yl)-[1]benzofuro[2,3-a]carbazole
CID 156564433
10-[5,5-dimethyl-4-(4-phenylphenyl)indeno[1,2-d]pyrimidin-2-yl]-1,10-diazaoctacyclo[17.10.1.02,18.03,11.04,9.012,17.023,30.024,29]triaconta-2(18),3(11),4,6,8,12,14,16,19,21,23(30),24,26,28-tetradecaene
CID 163517791
7-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-8-(9,9-dimethylfluoren-2-yl)benzo[c]carbazole
CID 142570942
28-(4-dibenzofuran-4-yl-[1]benzofuro[3,2-d]pyrimidin-2-yl)-3-oxa-28-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.021,26]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene
CID 131980150
14-(4-dibenzofuran-4-ylphenyl)-3-phenyl-3,14-diazahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene
CID 147149838
3-(4-dibenzofuran-4-ylphenyl)-14-phenyl-3,14-diazahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene
CID 126580193
12-[4-dibenzofuran-2-yl-6-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 163847238
9-dibenzofuran-4-yl-23,23-dimethyl-9-azahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17,19,21-undecaene
CID 122464597

Frequently Asked Questions

What is the IUPAC name of 14-(4-dibenzofuran-4-yl-5,5-dimethylindeno[1,2-d]pyrimidin-2-yl)-14,19-diazaoctacyclo[17.10.1.02,18.03,15.04,13.07,12.020,25.026,30]triaconta-1(29),2(18),3(15),4(13),5,7,9,11,16,20,22,24,26(30),27-tetradecaene?
The IUPAC name of 14-(4-dibenzofuran-4-yl-5,5-dimethylindeno[1,2-d]pyrimidin-2-yl)-14,19-diazaoctacyclo[17.10.1.02,18.03,15.04,13.07,12.020,25.026,30]triaconta-1(29),2(18),3(15),4(13),5,7,9,11,16,20,22,24,26(30),27-tetradecaene (CID 149430182) is 14-(4-dibenzofuran-4-yl-5,5-dimethylindeno[1,2-d]pyrimidin-2-yl)-14,19-diazaoctacyclo[17.10.1.02,18.03,15.04,13.07,12.020,25.026,30]triaconta-1(29),2(18),3(15),4(13),5,7,9,11,16,20,22,24,26(30),27-tetradecaene.
What is the SMILES notation for 14-(4-dibenzofuran-4-yl-5,5-dimethylindeno[1,2-d]pyrimidin-2-yl)-14,19-diazaoctacyclo[17.10.1.02,18.03,15.04,13.07,12.020,25.026,30]triaconta-1(29),2(18),3(15),4(13),5,7,9,11,16,20,22,24,26(30),27-tetradecaene?
The canonical SMILES for 14-(4-dibenzofuran-4-yl-5,5-dimethylindeno[1,2-d]pyrimidin-2-yl)-14,19-diazaoctacyclo[17.10.1.02,18.03,15.04,13.07,12.020,25.026,30]triaconta-1(29),2(18),3(15),4(13),5,7,9,11,16,20,22,24,26(30),27-tetradecaene is CC1(C)c2ccccc2-c2nc(-n3c4ccc5c(c6cccc7c8ccccc8n5c76)c4c4ccc5ccccc5c43)nc(-c3cccc4c3oc3ccccc34)c21.
What is the InChIKey of 14-(4-dibenzofuran-4-yl-5,5-dimethylindeno[1,2-d]pyrimidin-2-yl)-14,19-diazaoctacyclo[17.10.1.02,18.03,15.04,13.07,12.020,25.026,30]triaconta-1(29),2(18),3(15),4(13),5,7,9,11,16,20,22,24,26(30),27-tetradecaene?
The InChIKey is YUWWGVCNRGPBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H32N4O/c1-53(2)39-22-8-5-17-35(39)47-46(53)48(38-21-12-19-34-32-16-7-10-24-43(32)58-51(34)38)55-52(54-47)57-42-28-27-41-44(45(42)37-26-25-29-13-3-4-14-30(29)49(37)57)36-20-11-18-33-31-15-6-9-23-40(31)56(41)50(33)36/h3-28H,1-2H3.
What are the key properties of 14-(4-dibenzofuran-4-yl-5,5-dimethylindeno[1,2-d]pyrimidin-2-yl)-14,19-diazaoctacyclo[17.10.1.02,18.03,15.04,13.07,12.020,25.026,30]triaconta-1(29),2(18),3(15),4(13),5,7,9,11,16,20,22,24,26(30),27-tetradecaene?
14-(4-dibenzofuran-4-yl-5,5-dimethylindeno[1,2-d]pyrimidin-2-yl)-14,19-diazaoctacyclo[17.10.1.02,18.03,15.04,13.07,12.020,25.026,30]triaconta-1(29),2(18),3(15),4(13),5,7,9,11,16,20,22,24,26(30),27-tetradecaene has a molecular weight of 740.87 g/mol, XLogP of 13.75, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 14-(4-dibenzofuran-4-yl-5,5-dimethylindeno[1,2-d]pyrimidin-2-yl)-14,19-diazaoctacyclo[17.10.1.02,18.03,15.04,13.07,12.020,25.026,30]triaconta-1(29),2(18),3(15),4(13),5,7,9,11,16,20,22,24,26(30),27-tetradecaene is sourced from PubChem (CID 149430182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).