5-(4-methoxyphenyl)-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),18-octaene

C31H31NO — CID 70885667

IUPAC5-(4-methoxyphenyl)-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),18-octaene
SMILESCOc1ccc(-c2ccc3c(c2)C(C)(C)c2cccc4c2N3C2=C(CCC=C2)C4(C)C)cc1
InChIInChI=1S/C31H31NO/c1-30(2)23-9-6-7-12-27(23)32-28-18-15-21(20-13-16-22(33-5)17-14-20)19-26(28)31(3,4)25-11-8-10-24(30)29(25)32/h7-8,10-19H,6,9H2,1-5H3
InChIKeyNLIZNTNEVJGYCY-UHFFFAOYSA-N
MW433.60 g/mol
LogP8.03
Rot. Bonds2

About 5-(4-methoxyphenyl)-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),18-octaene

5-(4-methoxyphenyl)-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),18-octaene (PubChem CID 70885667) has the molecular formula C31H31NO and a molecular weight of 433.60 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),18-octaene.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),18-octaene
PubChem CID70885667
Molecular FormulaC31H31NO
Molecular Weight433.60 g/mol
Exact Mass433.24
IUPAC Name5-(4-methoxyphenyl)-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),18-octaene
SMILESCOc1ccc(-c2ccc3c(c2)C(C)(C)c2cccc4c2N3C2=C(CCC=C2)C4(C)C)cc1
InChIInChI=1S/C31H31NO/c1-30(2)23-9-6-7-12-27(23)32-28-18-15-21(20-13-16-22(33-5)17-14-20)19-26(28)31(3,4)25-11-8-10-24(30)29(25)32/h7-8,10-19H,6,9H2,1-5H3
InChIKeyNLIZNTNEVJGYCY-UHFFFAOYSA-N
XLogP8.03
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.60
LogP ≤ 58.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-(4-methoxyphenyl)-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),18-octaene with MolForge

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Related Compounds

5-dibenzothiophen-1-yl-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),18-octaene
CID 70885653
8,8,14,14-tetramethyl-17-(6-phenylnaphthalen-2-yl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),18-octaene
CID 70885473
8,8,14,14-tetramethyl-5,17-diphenyl-11-[4-[4-(8,8,14,14-tetramethyl-5,17-diphenyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl)phenyl]phenyl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
CID 90330364
8,8,14,14-tetramethyl-5,17-dinaphthalen-2-yl-11-[4-[4-(8,8,14,14-tetramethyl-5,17-diphenyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl)phenyl]phenyl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
CID 90330350
8,8,14,14-tetramethyl-5,17-dinaphthalen-2-yl-11-[4-(8,8,14,14-tetramethyl-5,17-diphenyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl)phenyl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
CID 90330332
8,8,14,14,22,22-hexamethyl-5,11-dinaphthalen-2-yl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 70892958
9,9-dimethyl-10-phenyl-2-[4-(2-phenyl-4,5-dihydrobenzimidazol-1-yl)phenyl]acridine
CID 71007192
9,9-dimethyl-10-naphthalen-1-yl-2-spiro[5,6-dihydrofluorene-9,9'-fluorene]-2-ylacridine
CID 90087290
5,11-bis[11-[11-[11-(8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl]-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl]-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl]-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 90295974
8,8,14,14-tetramethyl-11-[4-[4-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]phenyl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 90330276
2-phenyl-7-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-yl)xanthen-9-one
CID 168812429
5-[4-[(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)amino]phenyl]-8,8,14,14-tetramethyl-N,N-diphenyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-11-amine
CID 90779509

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),18-octaene?
The IUPAC name of 5-(4-methoxyphenyl)-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),18-octaene (CID 70885667) is 5-(4-methoxyphenyl)-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),18-octaene.
What is the SMILES notation for 5-(4-methoxyphenyl)-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),18-octaene?
The canonical SMILES for 5-(4-methoxyphenyl)-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),18-octaene is COc1ccc(-c2ccc3c(c2)C(C)(C)c2cccc4c2N3C2=C(CCC=C2)C4(C)C)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),18-octaene?
The InChIKey is NLIZNTNEVJGYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31NO/c1-30(2)23-9-6-7-12-27(23)32-28-18-15-21(20-13-16-22(33-5)17-14-20)19-26(28)31(3,4)25-11-8-10-24(30)29(25)32/h7-8,10-19H,6,9H2,1-5H3.
What are the key properties of 5-(4-methoxyphenyl)-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),18-octaene?
5-(4-methoxyphenyl)-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),18-octaene has a molecular weight of 433.60 g/mol, XLogP of 8.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),18-octaene is sourced from PubChem (CID 70885667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).