4-(2-methylpropyl)-12-(4-phenylnaphthalen-2-yl)-17-oxa-13,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,11,13,15-heptaene

C34H28N2O — CID 171581312

IUPAC4-(2-methylpropyl)-12-(4-phenylnaphthalen-2-yl)-17-oxa-13,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,11,13,15-heptaene
SMILESCC(C)Cc1ccc2c(c1)-c1oc3ncnc(-c4cc(-c5ccccc5)c5ccccc5c4)c3c1CC2
InChIInChI=1S/C34H28N2O/c1-21(2)16-22-12-13-24-14-15-28-31-32(35-20-36-34(31)37-33(28)30(24)17-22)26-18-25-10-6-7-11-27(25)29(19-26)23-8-4-3-5-9-23/h3-13,17-21H,14-16H2,1-2H3
InChIKeyHBMKZAWVFWCPTA-UHFFFAOYSA-N
MW480.61 g/mol
LogP8.67
Rot. Bonds4

About 4-(2-methylpropyl)-12-(4-phenylnaphthalen-2-yl)-17-oxa-13,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,11,13,15-heptaene

4-(2-methylpropyl)-12-(4-phenylnaphthalen-2-yl)-17-oxa-13,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,11,13,15-heptaene (PubChem CID 171581312) has the molecular formula C34H28N2O and a molecular weight of 480.61 g/mol. Its IUPAC name is 4-(2-methylpropyl)-12-(4-phenylnaphthalen-2-yl)-17-oxa-13,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,11,13,15-heptaene.

Molecular Properties

Compound Name4-(2-methylpropyl)-12-(4-phenylnaphthalen-2-yl)-17-oxa-13,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,11,13,15-heptaene
PubChem CID171581312
Molecular FormulaC34H28N2O
Molecular Weight480.61 g/mol
Exact Mass480.22
IUPAC Name4-(2-methylpropyl)-12-(4-phenylnaphthalen-2-yl)-17-oxa-13,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,11,13,15-heptaene
SMILESCC(C)Cc1ccc2c(c1)-c1oc3ncnc(-c4cc(-c5ccccc5)c5ccccc5c4)c3c1CC2
InChIInChI=1S/C34H28N2O/c1-21(2)16-22-12-13-24-14-15-28-31-32(35-20-36-34(31)37-33(28)30(24)17-22)26-18-25-10-6-7-11-27(25)29(19-26)23-8-4-3-5-9-23/h3-13,17-21H,14-16H2,1-2H3
InChIKeyHBMKZAWVFWCPTA-UHFFFAOYSA-N
XLogP8.67
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.61
LogP ≤ 58.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(2-methylpropyl)-12-(4-phenylnaphthalen-2-yl)-17-oxa-13,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,11,13,15-heptaene with MolForge

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Related Compounds

12-(4-tert-butylnaphthalen-2-yl)-4-(2-methylpropyl)-17-thia-13,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,11,13,15-heptaene
CID 171581349
4-(4-tert-butylnaphthalen-2-yl)-8-(2-methylpropyl)-5,6-dihydrobenzo[h]quinazoline
CID 171450283
6-(2-methylpropyl)-16-(4-phenylnaphthalen-2-yl)-11-thia-3,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,12(17),13,15-heptaene
CID 171581266
7-(4-tert-butylnaphthalen-2-yl)-3-(2-methylpropyl)-5,6-dihydro-1,8-phenanthroline
CID 171450261
5-(2-methylpropyl)-15-(4-phenylnaphthalen-2-yl)-17-thia-6,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaene
CID 171581570
12-(4-tert-butylnaphthalen-2-yl)-3-(2-methylpropyl)-17-oxa-13,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11,13,15-octaene
CID 168816142
2-(4-tert-butylnaphthalen-2-yl)-8-(2-methylpropyl)-5,6-dihydrobenzo[h]quinazoline
CID 171450274
12-(4-tert-butylnaphthalen-2-yl)-17-oxa-4,13-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaene
CID 171581504
13-(4-tert-butylnaphthalen-2-yl)-6-(2-methylpropyl)-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,12(17),13,15-heptaene
CID 171581324
12-(4,5,7-trimethylnaphthalen-2-yl)-17-oxa-13,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene
CID 168816751
(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium;4-(2-methylpropyl)-12-(4-phenyl-1H-naphthalen-1-id-2-yl)-17-oxa-6,13-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaene
CID 171581653
4-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-[3-methyl-5-(2-methylpropyl)-1-benzofuran-2-yl]thieno[3,2-c]pyridine
CID 171718664

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-12-(4-phenylnaphthalen-2-yl)-17-oxa-13,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,11,13,15-heptaene?
The IUPAC name of 4-(2-methylpropyl)-12-(4-phenylnaphthalen-2-yl)-17-oxa-13,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,11,13,15-heptaene (CID 171581312) is 4-(2-methylpropyl)-12-(4-phenylnaphthalen-2-yl)-17-oxa-13,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,11,13,15-heptaene.
What is the SMILES notation for 4-(2-methylpropyl)-12-(4-phenylnaphthalen-2-yl)-17-oxa-13,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,11,13,15-heptaene?
The canonical SMILES for 4-(2-methylpropyl)-12-(4-phenylnaphthalen-2-yl)-17-oxa-13,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,11,13,15-heptaene is CC(C)Cc1ccc2c(c1)-c1oc3ncnc(-c4cc(-c5ccccc5)c5ccccc5c4)c3c1CC2.
What is the InChIKey of 4-(2-methylpropyl)-12-(4-phenylnaphthalen-2-yl)-17-oxa-13,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,11,13,15-heptaene?
The InChIKey is HBMKZAWVFWCPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H28N2O/c1-21(2)16-22-12-13-24-14-15-28-31-32(35-20-36-34(31)37-33(28)30(24)17-22)26-18-25-10-6-7-11-27(25)29(19-26)23-8-4-3-5-9-23/h3-13,17-21H,14-16H2,1-2H3.
What are the key properties of 4-(2-methylpropyl)-12-(4-phenylnaphthalen-2-yl)-17-oxa-13,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,11,13,15-heptaene?
4-(2-methylpropyl)-12-(4-phenylnaphthalen-2-yl)-17-oxa-13,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,11,13,15-heptaene has a molecular weight of 480.61 g/mol, XLogP of 8.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-12-(4-phenylnaphthalen-2-yl)-17-oxa-13,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,11,13,15-heptaene is sourced from PubChem (CID 171581312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).