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

C36H19N3O — CID 129092420

IUPAC14-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
SMILESc1ccc2c(-c3cc4c5ccc6c7ccccc7oc6c5n5c6nc7ccccc7nc6c(c3)c45)cccc2c1
InChIInChI=1S/C36H19N3O/c1-2-10-22-20(8-1)9-7-12-23(22)21-18-27-25-16-17-26-24-11-3-6-15-31(24)40-35(26)34(25)39-33(27)28(19-21)32-36(39)38-30-14-5-4-13-29(30)37-32/h1-19H
InChIKeyYJFJELRAVLKOAX-UHFFFAOYSA-N
MW509.57 g/mol
LogP9.50
Rot. Bonds1

About 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

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 (PubChem CID 129092420) has the molecular formula C36H19N3O and a molecular weight of 509.57 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name14-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
PubChem CID129092420
Molecular FormulaC36H19N3O
Molecular Weight509.57 g/mol
Exact Mass509.15
IUPAC Name14-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
SMILESc1ccc2c(-c3cc4c5ccc6c7ccccc7oc6c5n5c6nc7ccccc7nc6c(c3)c45)cccc2c1
InChIInChI=1S/C36H19N3O/c1-2-10-22-20(8-1)9-7-12-23(22)21-18-27-25-16-17-26-24-11-3-6-15-31(24)40-35(26)34(25)39-33(27)28(19-21)32-36(39)38-30-14-5-4-13-29(30)37-32/h1-19H
InChIKeyYJFJELRAVLKOAX-UHFFFAOYSA-N
XLogP9.50
TPSA43.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.57
LogP ≤ 59.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
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
4-oxa-1,25,32-triazanonacyclo[17.14.1.02,18.03,11.05,10.012,17.023,34.024,33.026,31]tetratriaconta-2(18),3(11),5,7,9,12,14,16,19(34),20,22,24,26,28,30,32-hexadecaene
CID 118930657
24-naphthalen-1-yl-27-thia-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(26),22,24-tetradecaene
CID 129092517
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
18-(3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,10,13,15,17,19(23),20-undecaen-21-yl)-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene
CID 126577861
4-(3-dibenzofuran-4-yl-5-naphthalen-1-ylphenyl)-6-phenanthren-3-yl-2-phenylpyrimidine
CID 171582841
2-dibenzofuran-4-yl-4-naphthalen-1-yl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 177112899
4-(3-chloro-5-naphthalen-1-ylphenyl)dibenzofuran
CID 146440202
14-(9,9-dimethylfluoren-3-yl)-26-oxa-1,3,10-triazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.019,27.020,25]triaconta-2,4,6,8,10,12,14,16(30),17(29),18,20,22,24,27-tetradecaene
CID 129092449
[4-(4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2(14),3(11),5,7,9,12,15,17,19(33),20(32),21,23(31),24,26,28-pentadecaen-17-yl)phenyl]-trimethylsilane
CID 140863260
11-oxa-1,21,32-triazanonacyclo[17.14.1.02,14.04,12.05,10.015,34.020,33.022,31.024,29]tetratriaconta-2(14),3,5,7,9,12,15(34),16,18,20,22,24,26,28,30,32-hexadecaene
CID 129092585

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc2c(-c3cc4c5ccc6c7ccccc7oc6c5n5c6nc7ccccc7nc6c(c3)c45)cccc2c1.
What is the InChIKey of 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?
The InChIKey is YJFJELRAVLKOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H19N3O/c1-2-10-22-20(8-1)9-7-12-23(22)21-18-27-25-16-17-26-24-11-3-6-15-31(24)40-35(26)34(25)39-33(27)28(19-21)32-36(39)38-30-14-5-4-13-29(30)37-32/h1-19H.
What are the key properties of 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?
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 has a molecular weight of 509.57 g/mol, XLogP of 9.50, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 129092420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).