10-(2-hydroxynaphthalen-1-yl)-4,13-diphenyl-2,4,6,11,13,15-hexazatetracyclo[7.7.0.02,6.011,15]hexadec-8-ene-3,5,12,14-tetrone

C32H24N6O5 — CID 3457931

IUPAC10-(2-hydroxynaphthalen-1-yl)-4,13-diphenyl-2,4,6,11,13,15-hexazatetracyclo[7.7.0.02,6.011,15]hexadec-8-ene-3,5,12,14-tetrone
SMILESO=c1n(-c2ccccc2)c(=O)n2n1CC=C1C2Cn2c(=O)n(-c3ccccc3)c(=O)n2C1c1c(O)ccc2ccccc12
InChIInChI=1S/C32H24N6O5/c39-26-16-15-20-9-7-8-14-23(20)27(26)28-24-17-18-33-29(40)35(21-10-3-1-4-11-21)31(42)37(33)25(24)19-34-30(41)36(32(43)38(28)34)22-12-5-2-6-13-22/h1-17,25,28,39H,18-19H2
InChIKeyVAYYMYJSSVJERS-UHFFFAOYSA-N
MW572.58 g/mol
LogP2.56
Rot. Bonds3

About 10-(2-hydroxynaphthalen-1-yl)-4,13-diphenyl-2,4,6,11,13,15-hexazatetracyclo[7.7.0.02,6.011,15]hexadec-8-ene-3,5,12,14-tetrone

10-(2-hydroxynaphthalen-1-yl)-4,13-diphenyl-2,4,6,11,13,15-hexazatetracyclo[7.7.0.02,6.011,15]hexadec-8-ene-3,5,12,14-tetrone (PubChem CID 3457931) has the molecular formula C32H24N6O5 and a molecular weight of 572.58 g/mol. Its IUPAC name is 10-(2-hydroxynaphthalen-1-yl)-4,13-diphenyl-2,4,6,11,13,15-hexazatetracyclo[7.7.0.02,6.011,15]hexadec-8-ene-3,5,12,14-tetrone.

Molecular Properties

Compound Name10-(2-hydroxynaphthalen-1-yl)-4,13-diphenyl-2,4,6,11,13,15-hexazatetracyclo[7.7.0.02,6.011,15]hexadec-8-ene-3,5,12,14-tetrone
PubChem CID3457931
Molecular FormulaC32H24N6O5
Molecular Weight572.58 g/mol
Exact Mass572.18
IUPAC Name10-(2-hydroxynaphthalen-1-yl)-4,13-diphenyl-2,4,6,11,13,15-hexazatetracyclo[7.7.0.02,6.011,15]hexadec-8-ene-3,5,12,14-tetrone
SMILESO=c1n(-c2ccccc2)c(=O)n2n1CC=C1C2Cn2c(=O)n(-c3ccccc3)c(=O)n2C1c1c(O)ccc2ccccc12
InChIInChI=1S/C32H24N6O5/c39-26-16-15-20-9-7-8-14-23(20)27(26)28-24-17-18-33-29(40)35(21-10-3-1-4-11-21)31(42)37(33)25(24)19-34-30(41)36(32(43)38(28)34)22-12-5-2-6-13-22/h1-17,25,28,39H,18-19H2
InChIKeyVAYYMYJSSVJERS-UHFFFAOYSA-N
XLogP2.56
TPSA118.09 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.58
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 10-(2-hydroxynaphthalen-1-yl)-4,13-diphenyl-2,4,6,11,13,15-hexazatetracyclo[7.7.0.02,6.011,15]hexadec-8-ene-3,5,12,14-tetrone with MolForge

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Related Compounds

(1S,10S)-10-(4-hydroxyphenyl)-4,13-diphenyl-2,4,6,11,13,15-hexazatetracyclo[7.7.0.02,6.011,15]hexadec-8-ene-3,5,12,14-tetrone
CID 6639318
10-(5-chloro-2-hydroxyphenyl)-4,13-diphenyl-2,4,6,11,13,15-hexazatetracyclo[7.7.0.02,6.011,15]hexadec-8-ene-3,5,12,14-tetrone
CID 4547994
10-(2-hydroxy-3-methoxyphenyl)-4,13-diphenyl-2,4,6,11,13,15-hexazatetracyclo[7.7.0.02,6.011,15]hexadec-8-ene-3,5,12,14-tetrone
CID 4249005
(1S,10R)-10-(2-hydroxy-3-methoxyphenyl)-4,13-diphenyl-2,4,6,11,13,15-hexazatetracyclo[7.7.0.02,6.011,15]hexadec-8-ene-3,5,12,14-tetrone
CID 6639273
(1S,10R)-10-(6-hydroxy-4H-chromen-3-yl)-4,13-diphenyl-2,4,6,11,13,15-hexazatetracyclo[7.7.0.02,6.011,15]hexadec-8-ene-3,5,12,14-tetrone
CID 6639384
(2R,3S,8R,10R)-2-(1-hydroxynaphthalen-2-yl)-3,5,6,8-tetramethyl-13-phenyl-11,13,15-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(17),5-diene-4,7,12,14-tetrone
CID 6641418
(1R,10R,11S,15R)-11,15-dichloro-10-(2-hydroxynaphthalen-1-yl)-4,13-dimethyl-2,4,6,13-tetrazatetracyclo[7.7.0.02,6.011,15]hexadec-8-ene-3,5,12,14-tetrone
CID 6639821
3,5,6,8-tetrachloro-2-(4-hydroxynaphthalen-1-yl)-13-phenyl-11,13,15-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(17),5-diene-4,7,12,14-tetrone
CID 4173453
6-bromo-2-(4-hydroxynaphthalen-1-yl)-13-phenyl-11,13,15-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(17),3(8),5-triene-4,7,12,14-tetrone
CID 4567876
(1R,10R,11S,15R)-11,15-dichloro-13-(4-fluorophenyl)-10-(1-hydroxynaphthalen-2-yl)-4-phenyl-2,4,6,13-tetrazatetracyclo[7.7.0.02,6.011,15]hexadec-8-ene-3,5,12,14-tetrone
CID 6639837
2-(4-hydroxynaphthalen-1-yl)-5-iodo-13-phenyl-11,13,15-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(17),3(8),5-triene-4,7,12,14-tetrone
CID 4190653
2-(2-hydroxy-6-methoxyphenyl)-5-iodo-13-phenyl-11,13,15-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(17),3(8),5-triene-4,7,12,14-tetrone
CID 4187143

Frequently Asked Questions

What is the IUPAC name of 10-(2-hydroxynaphthalen-1-yl)-4,13-diphenyl-2,4,6,11,13,15-hexazatetracyclo[7.7.0.02,6.011,15]hexadec-8-ene-3,5,12,14-tetrone?
The IUPAC name of 10-(2-hydroxynaphthalen-1-yl)-4,13-diphenyl-2,4,6,11,13,15-hexazatetracyclo[7.7.0.02,6.011,15]hexadec-8-ene-3,5,12,14-tetrone (CID 3457931) is 10-(2-hydroxynaphthalen-1-yl)-4,13-diphenyl-2,4,6,11,13,15-hexazatetracyclo[7.7.0.02,6.011,15]hexadec-8-ene-3,5,12,14-tetrone.
What is the SMILES notation for 10-(2-hydroxynaphthalen-1-yl)-4,13-diphenyl-2,4,6,11,13,15-hexazatetracyclo[7.7.0.02,6.011,15]hexadec-8-ene-3,5,12,14-tetrone?
The canonical SMILES for 10-(2-hydroxynaphthalen-1-yl)-4,13-diphenyl-2,4,6,11,13,15-hexazatetracyclo[7.7.0.02,6.011,15]hexadec-8-ene-3,5,12,14-tetrone is O=c1n(-c2ccccc2)c(=O)n2n1CC=C1C2Cn2c(=O)n(-c3ccccc3)c(=O)n2C1c1c(O)ccc2ccccc12.
What is the InChIKey of 10-(2-hydroxynaphthalen-1-yl)-4,13-diphenyl-2,4,6,11,13,15-hexazatetracyclo[7.7.0.02,6.011,15]hexadec-8-ene-3,5,12,14-tetrone?
The InChIKey is VAYYMYJSSVJERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24N6O5/c39-26-16-15-20-9-7-8-14-23(20)27(26)28-24-17-18-33-29(40)35(21-10-3-1-4-11-21)31(42)37(33)25(24)19-34-30(41)36(32(43)38(28)34)22-12-5-2-6-13-22/h1-17,25,28,39H,18-19H2.
What are the key properties of 10-(2-hydroxynaphthalen-1-yl)-4,13-diphenyl-2,4,6,11,13,15-hexazatetracyclo[7.7.0.02,6.011,15]hexadec-8-ene-3,5,12,14-tetrone?
10-(2-hydroxynaphthalen-1-yl)-4,13-diphenyl-2,4,6,11,13,15-hexazatetracyclo[7.7.0.02,6.011,15]hexadec-8-ene-3,5,12,14-tetrone has a molecular weight of 572.58 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2-hydroxynaphthalen-1-yl)-4,13-diphenyl-2,4,6,11,13,15-hexazatetracyclo[7.7.0.02,6.011,15]hexadec-8-ene-3,5,12,14-tetrone is sourced from PubChem (CID 3457931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).