24-naphthalen-2-yl-27-thia-1,3,10-triazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.020,28.021,26]triaconta-2(11),5,7,9,12,14,16(30),17(29),18,20(28),21(26),22,24-tridecaene

C36H21N3S — CID 144984771

IUPAC24-naphthalen-2-yl-27-thia-1,3,10-triazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.020,28.021,26]triaconta-2(11),5,7,9,12,14,16(30),17(29),18,20(28),21(26),22,24-tridecaene
SMILESC1=CC2=Nc3c(n4c5c3cccc5c3ccc5c6ccc(-c7ccc8ccccc8c7)cc6sc5c34)NC2C=C1
InChIInChI=1S/C36H21N3S/c1-2-7-21-18-22(13-12-20(21)6-1)23-14-15-24-27-17-16-26-25-8-5-9-28-32-36(38-30-11-4-3-10-29(30)37-32)39(33(25)28)34(26)35(27)40-31(24)19-23/h1-19,30,38H
InChIKeyFNZQKGIZWAWBIA-UHFFFAOYSA-N
MW527.65 g/mol
LogP9.86
Rot. Bonds1

About 24-naphthalen-2-yl-27-thia-1,3,10-triazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.020,28.021,26]triaconta-2(11),5,7,9,12,14,16(30),17(29),18,20(28),21(26),22,24-tridecaene

24-naphthalen-2-yl-27-thia-1,3,10-triazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.020,28.021,26]triaconta-2(11),5,7,9,12,14,16(30),17(29),18,20(28),21(26),22,24-tridecaene (PubChem CID 144984771) has the molecular formula C36H21N3S and a molecular weight of 527.65 g/mol. Its IUPAC name is 24-naphthalen-2-yl-27-thia-1,3,10-triazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.020,28.021,26]triaconta-2(11),5,7,9,12,14,16(30),17(29),18,20(28),21(26),22,24-tridecaene.

Molecular Properties

Compound Name24-naphthalen-2-yl-27-thia-1,3,10-triazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.020,28.021,26]triaconta-2(11),5,7,9,12,14,16(30),17(29),18,20(28),21(26),22,24-tridecaene
PubChem CID144984771
Molecular FormulaC36H21N3S
Molecular Weight527.65 g/mol
Exact Mass527.15
IUPAC Name24-naphthalen-2-yl-27-thia-1,3,10-triazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.020,28.021,26]triaconta-2(11),5,7,9,12,14,16(30),17(29),18,20(28),21(26),22,24-tridecaene
SMILESC1=CC2=Nc3c(n4c5c3cccc5c3ccc5c6ccc(-c7ccc8ccccc8c7)cc6sc5c34)NC2C=C1
InChIInChI=1S/C36H21N3S/c1-2-7-21-18-22(13-12-20(21)6-1)23-14-15-24-27-17-16-26-25-8-5-9-28-32-36(38-30-11-4-3-10-29(30)37-32)39(33(25)28)34(26)35(27)40-31(24)19-23/h1-19,30,38H
InChIKeyFNZQKGIZWAWBIA-UHFFFAOYSA-N
XLogP9.86
TPSA28.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.65
LogP ≤ 59.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 24-naphthalen-2-yl-27-thia-1,3,10-triazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.020,28.021,26]triaconta-2(11),5,7,9,12,14,16(30),17(29),18,20(28),21(26),22,24-tridecaene 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

14-naphthalen-2-yl-27-thia-1,3,10-triazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.020,28.021,26]triaconta-2(11),3,5,7,12,14,16(30),17(29),18,20(28),21,23,25-tridecaene
CID 118615447
10-oxa-19-thia-1,28,35-triazadecacyclo[20.14.1.02,21.03,11.04,9.012,20.013,18.026,37.027,36.029,34]heptatriaconta-2,4,6,8,11,13,15,17,20,22(37),23,25,27(36),28,30,32-hexadecaene
CID 145027901
24-naphthalen-2-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 129092524
14-dibenzofuran-2-yl-26-thia-1,3,10-triazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.019,27.020,25]triaconta-2(11),5,7,9,12,14,16(30),17(29),18,20,22,24,27-tridecaene
CID 118615429
31-thia-1,3,10-triazanonacyclo[18.13.1.02,11.04,9.012,34.014,19.021,33.024,32.025,30]tetratriaconta-2(11),3,5,7,12,14,16,18,20(34),21(33),22,24(32),25,27,29-pentadecaene
CID 118930634
2,3-bis(4-naphthalen-2-ylphenyl)-1,8a-dihydroquinoxaline
CID 166995314
22-naphthalen-2-yl-26-thia-1,3,10-triazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.019,27.020,25]triaconta-2(11),5,7,12,14,16(30),17,19(27),20(25),21,23,28-dodecaene
CID 144984482
9-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzothiole
CID 118503751
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
9-phenyl-7-(3-phenyl-4,4a-dihydroquinoxalin-2-yl)benzo[c]carbazole
CID 121356812
2-naphthalen-2-yl-4-(9-naphthalen-2-ylnaphtho[1,2-b][1]benzothiol-5-yl)-6-phenyl-1,3,5-triazine
CID 171757171
18-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 118503594

Frequently Asked Questions

What is the IUPAC name of 24-naphthalen-2-yl-27-thia-1,3,10-triazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.020,28.021,26]triaconta-2(11),5,7,9,12,14,16(30),17(29),18,20(28),21(26),22,24-tridecaene?
The IUPAC name of 24-naphthalen-2-yl-27-thia-1,3,10-triazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.020,28.021,26]triaconta-2(11),5,7,9,12,14,16(30),17(29),18,20(28),21(26),22,24-tridecaene (CID 144984771) is 24-naphthalen-2-yl-27-thia-1,3,10-triazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.020,28.021,26]triaconta-2(11),5,7,9,12,14,16(30),17(29),18,20(28),21(26),22,24-tridecaene.
What is the SMILES notation for 24-naphthalen-2-yl-27-thia-1,3,10-triazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.020,28.021,26]triaconta-2(11),5,7,9,12,14,16(30),17(29),18,20(28),21(26),22,24-tridecaene?
The canonical SMILES for 24-naphthalen-2-yl-27-thia-1,3,10-triazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.020,28.021,26]triaconta-2(11),5,7,9,12,14,16(30),17(29),18,20(28),21(26),22,24-tridecaene is C1=CC2=Nc3c(n4c5c3cccc5c3ccc5c6ccc(-c7ccc8ccccc8c7)cc6sc5c34)NC2C=C1.
What is the InChIKey of 24-naphthalen-2-yl-27-thia-1,3,10-triazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.020,28.021,26]triaconta-2(11),5,7,9,12,14,16(30),17(29),18,20(28),21(26),22,24-tridecaene?
The InChIKey is FNZQKGIZWAWBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H21N3S/c1-2-7-21-18-22(13-12-20(21)6-1)23-14-15-24-27-17-16-26-25-8-5-9-28-32-36(38-30-11-4-3-10-29(30)37-32)39(33(25)28)34(26)35(27)40-31(24)19-23/h1-19,30,38H.
What are the key properties of 24-naphthalen-2-yl-27-thia-1,3,10-triazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.020,28.021,26]triaconta-2(11),5,7,9,12,14,16(30),17(29),18,20(28),21(26),22,24-tridecaene?
24-naphthalen-2-yl-27-thia-1,3,10-triazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.020,28.021,26]triaconta-2(11),5,7,9,12,14,16(30),17(29),18,20(28),21(26),22,24-tridecaene has a molecular weight of 527.65 g/mol, XLogP of 9.86, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 24-naphthalen-2-yl-27-thia-1,3,10-triazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.020,28.021,26]triaconta-2(11),5,7,9,12,14,16(30),17(29),18,20(28),21(26),22,24-tridecaene is sourced from PubChem (CID 144984771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).