8-(2-phenylquinolin-3-yl)-1,8,19-triazahexacyclo[11.9.2.02,7.09,24.016,23.017,22]tetracosa-2,4,6,9,11,13(24),14,16(23),17(22),18,20-undecaene

C36H22N4 — CID 170381485

IUPAC8-(2-phenylquinolin-3-yl)-1,8,19-triazahexacyclo[11.9.2.02,7.09,24.016,23.017,22]tetracosa-2,4,6,9,11,13(24),14,16(23),17(22),18,20-undecaene
SMILESc1ccc(-c2nc3ccccc3cc2-n2c3cccc4ccc5c6cnccc6n(c6ccccc62)c5c43)cc1
InChIInChI=1S/C36H22N4/c1-2-9-24(10-3-1)35-33(21-25-11-4-5-13-28(25)38-35)39-30-14-6-7-15-31(30)40-29-19-20-37-22-27(29)26-18-17-23-12-8-16-32(39)34(23)36(26)40/h1-22H
InChIKeyVQFNYXXGXKJVCT-UHFFFAOYSA-N
MW510.60 g/mol
LogP8.95
Rot. Bonds2

About 8-(2-phenylquinolin-3-yl)-1,8,19-triazahexacyclo[11.9.2.02,7.09,24.016,23.017,22]tetracosa-2,4,6,9,11,13(24),14,16(23),17(22),18,20-undecaene

8-(2-phenylquinolin-3-yl)-1,8,19-triazahexacyclo[11.9.2.02,7.09,24.016,23.017,22]tetracosa-2,4,6,9,11,13(24),14,16(23),17(22),18,20-undecaene (PubChem CID 170381485) has the molecular formula C36H22N4 and a molecular weight of 510.60 g/mol. Its IUPAC name is 8-(2-phenylquinolin-3-yl)-1,8,19-triazahexacyclo[11.9.2.02,7.09,24.016,23.017,22]tetracosa-2,4,6,9,11,13(24),14,16(23),17(22),18,20-undecaene.

Molecular Properties

Compound Name8-(2-phenylquinolin-3-yl)-1,8,19-triazahexacyclo[11.9.2.02,7.09,24.016,23.017,22]tetracosa-2,4,6,9,11,13(24),14,16(23),17(22),18,20-undecaene
PubChem CID170381485
Molecular FormulaC36H22N4
Molecular Weight510.60 g/mol
Exact Mass510.18
IUPAC Name8-(2-phenylquinolin-3-yl)-1,8,19-triazahexacyclo[11.9.2.02,7.09,24.016,23.017,22]tetracosa-2,4,6,9,11,13(24),14,16(23),17(22),18,20-undecaene
SMILESc1ccc(-c2nc3ccccc3cc2-n2c3cccc4ccc5c6cnccc6n(c6ccccc62)c5c43)cc1
InChIInChI=1S/C36H22N4/c1-2-9-24(10-3-1)35-33(21-25-11-4-5-13-28(25)38-35)39-30-14-6-7-15-31(30)40-29-19-20-37-22-27(29)26-18-17-23-12-8-16-32(39)34(23)36(26)40/h1-22H
InChIKeyVQFNYXXGXKJVCT-UHFFFAOYSA-N
XLogP8.95
TPSA35.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.60
LogP ≤ 58.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-(2-phenylquinolin-3-yl)-1,8,19-triazahexacyclo[11.9.2.02,7.09,24.016,23.017,22]tetracosa-2,4,6,9,11,13(24),14,16(23),17(22),18,20-undecaene with MolForge

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Related Compounds

8-[3-(3-phenylphenyl)quinoxalin-2-yl]-1,8,20-triazahexacyclo[11.9.2.02,7.09,24.016,23.017,22]tetracosa-2,4,6,9,11,13(24),14,16(23),17(22),18,20-undecaene
CID 170381483
20-(4-phenylquinazolin-2-yl)-1,20-diazaheptacyclo[13.11.2.02,11.03,8.012,27.019,28.021,26]octacosa-2(11),3,5,7,9,12(27),13,15(28),16,18,21,23,25-tridecaene
CID 170381294
8-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,8-diazahexacyclo[11.9.2.02,7.09,24.016,23.017,22]tetracosa-2,4,6,9,11,13(24),14,16(23),17,19,21-undecaene
CID 170381313
4-phenyl-2-(1,8,20-triazahexacyclo[11.9.2.02,7.09,24.016,23.017,22]tetracosa-2,4,6,9,11,13(24),14,16(23),17(22),18,20-undecaen-8-yl)-[1]benzothiolo[3,2-d]pyrimidine
CID 170381744
26-(3-naphthalen-2-ylbenzo[f]quinolin-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 166496726
2-(1,8-diazahexacyclo[11.9.2.02,7.09,24.016,23.017,22]tetracosa-2,4,6,9,11,13(24),14,16(23),17,19,21-undecaen-8-yl)-4-phenyl-[1]benzothiolo[2,3-d]pyrimidine
CID 170381350
13-(3-phenylquinoxalin-2-yl)-13,31-diazanonacyclo[15.15.0.02,14.03,12.04,9.05,31.020,32.021,30.023,28]dotriaconta-1(17),2(14),3(12),4(9),5,7,10,15,18,20(32),21,23,25,27,29-pentadecaene
CID 170399481
12-(3-phenylquinoxalin-2-yl)-1,12-diazaoctacyclo[15.13.2.02,11.04,9.013,32.020,31.021,30.022,27]dotriaconta-2,4,6,8,10,13,15,17(32),18,20(31),21(30),22,24,26,28-pentadecaene
CID 170381299
3-[2-(9-phenylcarbazol-3-yl)quinolin-3-yl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.05,10.017,22.023,30.024,29]triaconta-1(30),2(14),4(13),5,7,9,11,15,17,19,21,24,26,28-tetradecaene
CID 130258445
8-[4-phenyl-6-[(2E,4E)-5-[3-[3-(1,4,8-triazahexacyclo[11.9.2.02,7.09,24.016,23.017,22]tetracosa-2(7),3,5,9,11,13(24),14,16(23),17,19,21-undecaen-8-yl)quinoxalin-2-yl]phenyl]hexa-2,4-dien-2-yl]-1,3,5-triazin-2-yl]-1,6,8-triazahexacyclo[11.9.2.02,7.09,24.016,23.017,22]tetracosa-2(7),3,5,9,11,13(24),14,16(23),17,19,21-undecaene
CID 170382483
15-[4-(4-phenylphenyl)quinazolin-2-yl]-4,15-diazaoctacyclo[14.12.0.02,14.03,11.04,26.05,10.019,28.022,27]octacosa-1(16),2(14),3(11),5,7,9,12,17,19(28),20,22(27),23,25-tridecaene
CID 148877399
7,10,13,20-tetrazadecacyclo[18.13.2.13,10.02,19.04,9.011,16.021,26.027,35.030,34.017,36]hexatriaconta-1(33),2(19),3(36),4(9),5,7,11(16),12,14,17,21,23,25,27(35),28,30(34),31-heptadecaene
CID 164528072

Frequently Asked Questions

What is the IUPAC name of 8-(2-phenylquinolin-3-yl)-1,8,19-triazahexacyclo[11.9.2.02,7.09,24.016,23.017,22]tetracosa-2,4,6,9,11,13(24),14,16(23),17(22),18,20-undecaene?
The IUPAC name of 8-(2-phenylquinolin-3-yl)-1,8,19-triazahexacyclo[11.9.2.02,7.09,24.016,23.017,22]tetracosa-2,4,6,9,11,13(24),14,16(23),17(22),18,20-undecaene (CID 170381485) is 8-(2-phenylquinolin-3-yl)-1,8,19-triazahexacyclo[11.9.2.02,7.09,24.016,23.017,22]tetracosa-2,4,6,9,11,13(24),14,16(23),17(22),18,20-undecaene.
What is the SMILES notation for 8-(2-phenylquinolin-3-yl)-1,8,19-triazahexacyclo[11.9.2.02,7.09,24.016,23.017,22]tetracosa-2,4,6,9,11,13(24),14,16(23),17(22),18,20-undecaene?
The canonical SMILES for 8-(2-phenylquinolin-3-yl)-1,8,19-triazahexacyclo[11.9.2.02,7.09,24.016,23.017,22]tetracosa-2,4,6,9,11,13(24),14,16(23),17(22),18,20-undecaene is c1ccc(-c2nc3ccccc3cc2-n2c3cccc4ccc5c6cnccc6n(c6ccccc62)c5c43)cc1.
What is the InChIKey of 8-(2-phenylquinolin-3-yl)-1,8,19-triazahexacyclo[11.9.2.02,7.09,24.016,23.017,22]tetracosa-2,4,6,9,11,13(24),14,16(23),17(22),18,20-undecaene?
The InChIKey is VQFNYXXGXKJVCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22N4/c1-2-9-24(10-3-1)35-33(21-25-11-4-5-13-28(25)38-35)39-30-14-6-7-15-31(30)40-29-19-20-37-22-27(29)26-18-17-23-12-8-16-32(39)34(23)36(26)40/h1-22H.
What are the key properties of 8-(2-phenylquinolin-3-yl)-1,8,19-triazahexacyclo[11.9.2.02,7.09,24.016,23.017,22]tetracosa-2,4,6,9,11,13(24),14,16(23),17(22),18,20-undecaene?
8-(2-phenylquinolin-3-yl)-1,8,19-triazahexacyclo[11.9.2.02,7.09,24.016,23.017,22]tetracosa-2,4,6,9,11,13(24),14,16(23),17(22),18,20-undecaene has a molecular weight of 510.60 g/mol, XLogP of 8.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-phenylquinolin-3-yl)-1,8,19-triazahexacyclo[11.9.2.02,7.09,24.016,23.017,22]tetracosa-2,4,6,9,11,13(24),14,16(23),17(22),18,20-undecaene is sourced from PubChem (CID 170381485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).