5-(4-cyclohexylnaphthalen-2-yl)-16,16,19,19-tetramethyl-12-oxa-6-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15(20)-octaene

C39H39NO — CID 170678502

IUPAC5-(4-cyclohexylnaphthalen-2-yl)-16,16,19,19-tetramethyl-12-oxa-6-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15(20)-octaene
SMILESCC1(C)CCC(C)(C)c2cc3c(cc21)oc1cc2ccnc(-c4cc(C5CCCCC5)c5ccccc5c4)c2cc13
InChIInChI=1S/C39H39NO/c1-38(2)15-16-39(3,4)34-23-36-32(22-33(34)38)31-21-30-26(20-35(31)41-36)14-17-40-37(30)27-18-25-12-8-9-13-28(25)29(19-27)24-10-6-5-7-11-24/h8-9,12-14,17-24H,5-7,10-11,15-16H2,1-4H3
InChIKeyFIVKMYZPQXHPBH-UHFFFAOYSA-N
MW537.75 g/mol
LogP11.35
Rot. Bonds2

About 5-(4-cyclohexylnaphthalen-2-yl)-16,16,19,19-tetramethyl-12-oxa-6-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15(20)-octaene

5-(4-cyclohexylnaphthalen-2-yl)-16,16,19,19-tetramethyl-12-oxa-6-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15(20)-octaene (PubChem CID 170678502) has the molecular formula C39H39NO and a molecular weight of 537.75 g/mol. Its IUPAC name is 5-(4-cyclohexylnaphthalen-2-yl)-16,16,19,19-tetramethyl-12-oxa-6-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15(20)-octaene.

Molecular Properties

Compound Name5-(4-cyclohexylnaphthalen-2-yl)-16,16,19,19-tetramethyl-12-oxa-6-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15(20)-octaene
PubChem CID170678502
Molecular FormulaC39H39NO
Molecular Weight537.75 g/mol
Exact Mass537.30
IUPAC Name5-(4-cyclohexylnaphthalen-2-yl)-16,16,19,19-tetramethyl-12-oxa-6-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15(20)-octaene
SMILESCC1(C)CCC(C)(C)c2cc3c(cc21)oc1cc2ccnc(-c4cc(C5CCCCC5)c5ccccc5c4)c2cc13
InChIInChI=1S/C39H39NO/c1-38(2)15-16-39(3,4)34-23-36-32(22-33(34)38)31-21-30-26(20-35(31)41-36)14-17-40-37(30)27-18-25-12-8-9-13-28(25)29(19-27)24-10-6-5-7-11-24/h8-9,12-14,17-24H,5-7,10-11,15-16H2,1-4H3
InChIKeyFIVKMYZPQXHPBH-UHFFFAOYSA-N
XLogP11.35
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.75
LogP ≤ 511.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-(4-cyclohexylnaphthalen-2-yl)-16,16,19,19-tetramethyl-12-oxa-6-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15(20)-octaene with MolForge

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Related Compounds

6-cyclopentyl-1-[4-(4,4-dimethylcyclohexyl)naphthalen-2-yl]isoquinoline
CID 156621924
2-(4-cyclohexylnaphthalen-2-yl)pyridine
CID 151672522
6,6,9,9-tetramethyl-1-(4-phenylcyclohexa-1,3-dien-1-yl)-7,8-dihydrobenzo[g]isoquinoline
CID 118300282
17-(4-tert-butylnaphthalen-2-yl)-5,5,8,8-tetramethyl-12-oxa-16-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4(9),10,14,16,18,20-octaene
CID 170678290
3-tert-butyl-7-(4-cyclohexylnaphthalen-2-yl)-2-[4-(2,2-dimethylpropyl)phenyl]thieno[2,3-c]pyridine
CID 163843859
1-(4-tert-butylnaphthalen-2-yl)-7-(4,4-dimethylcyclohexyl)benzo[h]isoquinoline
CID 156667190
1-(2H-dibenzofuran-2-id-3-yl)-6,6,9,9-tetramethyl-7,8-dihydrobenzo[g]isoquinoline;iridium;2-phenylpyridine
CID 140789975
1-cyclopentyl-3-methylnaphthalene
CID 153311987
1-(4-tert-butylnaphthalen-2-yl)-5,5,8,8-tetramethyl-6,7-dihydro-[1]benzofuro[2,3-c]pyridine
CID 176812431
5-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-15,15,18,18-tetramethyl-12-oxa-6-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),20-octaene;(Z)-5-cyclohexylimino-2,6-dimethylhept-3-en-3-ol;iridium
CID 170678497
1-(4-tert-butylnaphthalen-2-yl)-7-(4,4-dimethylcyclohexyl)-[1]benzofuro[2,3-c]pyridine
CID 168852909
6,6,8,8-tetramethyl-1,7-diphenyl-7H-cyclopenta[g]isoquinoline
CID 162503638

Frequently Asked Questions

What is the IUPAC name of 5-(4-cyclohexylnaphthalen-2-yl)-16,16,19,19-tetramethyl-12-oxa-6-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15(20)-octaene?
The IUPAC name of 5-(4-cyclohexylnaphthalen-2-yl)-16,16,19,19-tetramethyl-12-oxa-6-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15(20)-octaene (CID 170678502) is 5-(4-cyclohexylnaphthalen-2-yl)-16,16,19,19-tetramethyl-12-oxa-6-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15(20)-octaene.
What is the SMILES notation for 5-(4-cyclohexylnaphthalen-2-yl)-16,16,19,19-tetramethyl-12-oxa-6-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15(20)-octaene?
The canonical SMILES for 5-(4-cyclohexylnaphthalen-2-yl)-16,16,19,19-tetramethyl-12-oxa-6-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15(20)-octaene is CC1(C)CCC(C)(C)c2cc3c(cc21)oc1cc2ccnc(-c4cc(C5CCCCC5)c5ccccc5c4)c2cc13.
What is the InChIKey of 5-(4-cyclohexylnaphthalen-2-yl)-16,16,19,19-tetramethyl-12-oxa-6-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15(20)-octaene?
The InChIKey is FIVKMYZPQXHPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H39NO/c1-38(2)15-16-39(3,4)34-23-36-32(22-33(34)38)31-21-30-26(20-35(31)41-36)14-17-40-37(30)27-18-25-12-8-9-13-28(25)29(19-27)24-10-6-5-7-11-24/h8-9,12-14,17-24H,5-7,10-11,15-16H2,1-4H3.
What are the key properties of 5-(4-cyclohexylnaphthalen-2-yl)-16,16,19,19-tetramethyl-12-oxa-6-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15(20)-octaene?
5-(4-cyclohexylnaphthalen-2-yl)-16,16,19,19-tetramethyl-12-oxa-6-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15(20)-octaene has a molecular weight of 537.75 g/mol, XLogP of 11.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyclohexylnaphthalen-2-yl)-16,16,19,19-tetramethyl-12-oxa-6-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15(20)-octaene is sourced from PubChem (CID 170678502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).