naphthalen-2-yl 6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxylate

C29H28N2O2 — CID 3254294

IUPACnaphthalen-2-yl 6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxylate
SMILESCc1cc2nc3c(nc2cc1C)C1(C(=O)Oc2ccc4ccccc4c2)CCC3(C)C1(C)C
InChIInChI=1S/C29H28N2O2/c1-17-14-22-23(15-18(17)2)31-25-24(30-22)28(5)12-13-29(25,27(28,3)4)26(32)33-21-11-10-19-8-6-7-9-20(19)16-21/h6-11,14-16H,12-13H2,1-5H3
InChIKeyRUKXRUCNVCHDPR-UHFFFAOYSA-N
MW436.56 g/mol
LogP6.33
Rot. Bonds2

About naphthalen-2-yl 6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxylate

naphthalen-2-yl 6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxylate (PubChem CID 3254294) has the molecular formula C29H28N2O2 and a molecular weight of 436.56 g/mol. Its IUPAC name is naphthalen-2-yl 6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxylate.

Molecular Properties

Compound Namenaphthalen-2-yl 6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxylate
PubChem CID3254294
Molecular FormulaC29H28N2O2
Molecular Weight436.56 g/mol
Exact Mass436.22
IUPAC Namenaphthalen-2-yl 6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxylate
SMILESCc1cc2nc3c(nc2cc1C)C1(C(=O)Oc2ccc4ccccc4c2)CCC3(C)C1(C)C
InChIInChI=1S/C29H28N2O2/c1-17-14-22-23(15-18(17)2)31-25-24(30-22)28(5)12-13-29(25,27(28,3)4)26(32)33-21-11-10-19-8-6-7-9-20(19)16-21/h6-11,14-16H,12-13H2,1-5H3
InChIKeyRUKXRUCNVCHDPR-UHFFFAOYSA-N
XLogP6.33
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.56
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze naphthalen-2-yl 6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of naphthalen-2-yl 6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxylate?
The IUPAC name of naphthalen-2-yl 6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxylate (CID 3254294) is naphthalen-2-yl 6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxylate.
What is the SMILES notation for naphthalen-2-yl 6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxylate?
The canonical SMILES for naphthalen-2-yl 6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxylate is Cc1cc2nc3c(nc2cc1C)C1(C(=O)Oc2ccc4ccccc4c2)CCC3(C)C1(C)C.
What is the InChIKey of naphthalen-2-yl 6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxylate?
The InChIKey is RUKXRUCNVCHDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N2O2/c1-17-14-22-23(15-18(17)2)31-25-24(30-22)28(5)12-13-29(25,27(28,3)4)26(32)33-21-11-10-19-8-6-7-9-20(19)16-21/h6-11,14-16H,12-13H2,1-5H3.
What are the key properties of naphthalen-2-yl 6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxylate?
naphthalen-2-yl 6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxylate has a molecular weight of 436.56 g/mol, XLogP of 6.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-2-yl 6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxylate is sourced from PubChem (CID 3254294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).