2-naphthalen-2-yl-6,13-dipyridin-4-yl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8(16),9,11(15)-pentaene-5,7,12,14-tetrone

C34H18N4O4 — CID 176771044

IUPAC2-naphthalen-2-yl-6,13-dipyridin-4-yl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8(16),9,11(15)-pentaene-5,7,12,14-tetrone
SMILESO=C1c2ccc3c4c(c(-c5ccc6ccccc6c5)cc(c24)C(=O)N1c1ccncc1)C(=O)N(c1ccncc1)C3=O
InChIInChI=1S/C34H18N4O4/c39-31-24-7-8-25-29-28(24)27(33(41)37(31)22-9-13-35-14-10-22)18-26(21-6-5-19-3-1-2-4-20(19)17-21)30(29)34(42)38(32(25)40)23-11-15-36-16-12-23/h1-18H
InChIKeyJOKKLSNVYDKGMV-UHFFFAOYSA-N
MW546.54 g/mol
LogP6.05
Rot. Bonds3

About 2-naphthalen-2-yl-6,13-dipyridin-4-yl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8(16),9,11(15)-pentaene-5,7,12,14-tetrone

2-naphthalen-2-yl-6,13-dipyridin-4-yl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8(16),9,11(15)-pentaene-5,7,12,14-tetrone (PubChem CID 176771044) has the molecular formula C34H18N4O4 and a molecular weight of 546.54 g/mol. Its IUPAC name is 2-naphthalen-2-yl-6,13-dipyridin-4-yl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8(16),9,11(15)-pentaene-5,7,12,14-tetrone.

Molecular Properties

Compound Name2-naphthalen-2-yl-6,13-dipyridin-4-yl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8(16),9,11(15)-pentaene-5,7,12,14-tetrone
PubChem CID176771044
Molecular FormulaC34H18N4O4
Molecular Weight546.54 g/mol
Exact Mass546.13
IUPAC Name2-naphthalen-2-yl-6,13-dipyridin-4-yl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8(16),9,11(15)-pentaene-5,7,12,14-tetrone
SMILESO=C1c2ccc3c4c(c(-c5ccc6ccccc6c5)cc(c24)C(=O)N1c1ccncc1)C(=O)N(c1ccncc1)C3=O
InChIInChI=1S/C34H18N4O4/c39-31-24-7-8-25-29-28(24)27(33(41)37(31)22-9-13-35-14-10-22)18-26(21-6-5-19-3-1-2-4-20(19)17-21)30(29)34(42)38(32(25)40)23-11-15-36-16-12-23/h1-18H
InChIKeyJOKKLSNVYDKGMV-UHFFFAOYSA-N
XLogP6.05
TPSA100.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.54
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-naphthalen-2-yl-6,13-dipyridin-4-yl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8(16),9,11(15)-pentaene-5,7,12,14-tetrone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-6,13-dipyridin-4-yl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8(16),9,11(15)-pentaene-5,7,12,14-tetrone?
The IUPAC name of 2-naphthalen-2-yl-6,13-dipyridin-4-yl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8(16),9,11(15)-pentaene-5,7,12,14-tetrone (CID 176771044) is 2-naphthalen-2-yl-6,13-dipyridin-4-yl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8(16),9,11(15)-pentaene-5,7,12,14-tetrone.
What is the SMILES notation for 2-naphthalen-2-yl-6,13-dipyridin-4-yl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8(16),9,11(15)-pentaene-5,7,12,14-tetrone?
The canonical SMILES for 2-naphthalen-2-yl-6,13-dipyridin-4-yl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8(16),9,11(15)-pentaene-5,7,12,14-tetrone is O=C1c2ccc3c4c(c(-c5ccc6ccccc6c5)cc(c24)C(=O)N1c1ccncc1)C(=O)N(c1ccncc1)C3=O.
What is the InChIKey of 2-naphthalen-2-yl-6,13-dipyridin-4-yl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8(16),9,11(15)-pentaene-5,7,12,14-tetrone?
The InChIKey is JOKKLSNVYDKGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H18N4O4/c39-31-24-7-8-25-29-28(24)27(33(41)37(31)22-9-13-35-14-10-22)18-26(21-6-5-19-3-1-2-4-20(19)17-21)30(29)34(42)38(32(25)40)23-11-15-36-16-12-23/h1-18H.
What are the key properties of 2-naphthalen-2-yl-6,13-dipyridin-4-yl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8(16),9,11(15)-pentaene-5,7,12,14-tetrone?
2-naphthalen-2-yl-6,13-dipyridin-4-yl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8(16),9,11(15)-pentaene-5,7,12,14-tetrone has a molecular weight of 546.54 g/mol, XLogP of 6.05, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yl-6,13-dipyridin-4-yl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8(16),9,11(15)-pentaene-5,7,12,14-tetrone is sourced from PubChem (CID 176771044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).