3-isoquinolin-5-yl-16-phenyl-3,16-diazahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaene

C37H23N3 — CID 122465109

IUPAC3-isoquinolin-5-yl-16-phenyl-3,16-diazahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaene
SMILESc1ccc(-n2c3ccccc3c3cc4c(ccc5c6ccccc6n(-c6cccc7cnccc67)c45)cc32)cc1
InChIInChI=1S/C37H23N3/c1-2-10-26(11-3-1)39-34-14-6-5-13-29(34)32-22-31-24(21-36(32)39)17-18-30-28-12-4-7-15-35(28)40(37(30)31)33-16-8-9-25-23-38-20-19-27(25)33/h1-23H
InChIKeyFPTWNCMCBRZIOW-UHFFFAOYSA-N
MW509.61 g/mol
LogP9.58
Rot. Bonds2

About 3-isoquinolin-5-yl-16-phenyl-3,16-diazahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaene

3-isoquinolin-5-yl-16-phenyl-3,16-diazahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaene (PubChem CID 122465109) has the molecular formula C37H23N3 and a molecular weight of 509.61 g/mol. Its IUPAC name is 3-isoquinolin-5-yl-16-phenyl-3,16-diazahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaene.

Molecular Properties

Compound Name3-isoquinolin-5-yl-16-phenyl-3,16-diazahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaene
PubChem CID122465109
Molecular FormulaC37H23N3
Molecular Weight509.61 g/mol
Exact Mass509.19
IUPAC Name3-isoquinolin-5-yl-16-phenyl-3,16-diazahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaene
SMILESc1ccc(-n2c3ccccc3c3cc4c(ccc5c6ccccc6n(-c6cccc7cnccc67)c45)cc32)cc1
InChIInChI=1S/C37H23N3/c1-2-10-26(11-3-1)39-34-14-6-5-13-29(34)32-22-31-24(21-36(32)39)17-18-30-28-12-4-7-15-35(28)40(37(30)31)33-16-8-9-25-23-38-20-19-27(25)33/h1-23H
InChIKeyFPTWNCMCBRZIOW-UHFFFAOYSA-N
XLogP9.58
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.61
LogP ≤ 59.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-isoquinolin-5-yl-16-phenyl-3,16-diazahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaene with MolForge

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Related Compounds

20-isoquinolin-4-yl-7-phenyl-7,20-diazapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2(10),3,5,8,11,14,16,18-nonaene
CID 90223230
11-phenylpyrido[3,4-a]carbazole
CID 118403040
10-[3-(3-carbazol-9-ylphenyl)phenyl]-14-phenyl-7,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
CID 139575264
7-(9-naphthalen-2-ylcarbazol-1-yl)-9-phenylpyrido[3,4-b]indole
CID 129221374
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-3,19,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17(22),18,20-undecaene
CID 122524145
3-dibenzofuran-1-yl-22-phenyl-3,22-diazahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene
CID 122465438
12-naphthalen-1-yl-11-[4-(9-phenylcarbazol-2-yl)phenyl]indolo[2,3-a]carbazole
CID 134168605
2-(16-phenyl-3,16-diazahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaen-3-yl)-1,3-benzothiazole
CID 122465359
16-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-4,12-diphenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 138654328
3,24-diphenyl-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene
CID 122464954
10,20-diphenyl-7,10,17,20-tetrazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene
CID 123184243
7-phenyl-5-[6-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]indolo[2,3-b]carbazole
CID 149169033

Frequently Asked Questions

What is the IUPAC name of 3-isoquinolin-5-yl-16-phenyl-3,16-diazahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaene?
The IUPAC name of 3-isoquinolin-5-yl-16-phenyl-3,16-diazahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaene (CID 122465109) is 3-isoquinolin-5-yl-16-phenyl-3,16-diazahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaene.
What is the SMILES notation for 3-isoquinolin-5-yl-16-phenyl-3,16-diazahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaene?
The canonical SMILES for 3-isoquinolin-5-yl-16-phenyl-3,16-diazahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaene is c1ccc(-n2c3ccccc3c3cc4c(ccc5c6ccccc6n(-c6cccc7cnccc67)c45)cc32)cc1.
What is the InChIKey of 3-isoquinolin-5-yl-16-phenyl-3,16-diazahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaene?
The InChIKey is FPTWNCMCBRZIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H23N3/c1-2-10-26(11-3-1)39-34-14-6-5-13-29(34)32-22-31-24(21-36(32)39)17-18-30-28-12-4-7-15-35(28)40(37(30)31)33-16-8-9-25-23-38-20-19-27(25)33/h1-23H.
What are the key properties of 3-isoquinolin-5-yl-16-phenyl-3,16-diazahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaene?
3-isoquinolin-5-yl-16-phenyl-3,16-diazahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaene has a molecular weight of 509.61 g/mol, XLogP of 9.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-isoquinolin-5-yl-16-phenyl-3,16-diazahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaene is sourced from PubChem (CID 122465109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).