6-(2-butan-2-ylphenyl)-5,9,14,14-tetramethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene

C33H33N — CID 145449652

IUPAC6-(2-butan-2-ylphenyl)-5,9,14,14-tetramethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
SMILESCCC(C)c1ccccc1-c1cc2c(cc1C)c1c3c(ccc1n2C)C(C)(C)c1ccccc1-3
InChIInChI=1S/C33H33N/c1-7-20(2)22-12-8-9-13-23(22)25-19-30-26(18-21(25)3)32-29(34(30)6)17-16-28-31(32)24-14-10-11-15-27(24)33(28,4)5/h8-20H,7H2,1-6H3
InChIKeyMWEUOOVEGWORIS-UHFFFAOYSA-N
MW443.63 g/mol
LogP9.13
Rot. Bonds3

About 6-(2-butan-2-ylphenyl)-5,9,14,14-tetramethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene

6-(2-butan-2-ylphenyl)-5,9,14,14-tetramethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene (PubChem CID 145449652) has the molecular formula C33H33N and a molecular weight of 443.63 g/mol. Its IUPAC name is 6-(2-butan-2-ylphenyl)-5,9,14,14-tetramethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene.

Molecular Properties

Compound Name6-(2-butan-2-ylphenyl)-5,9,14,14-tetramethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
PubChem CID145449652
Molecular FormulaC33H33N
Molecular Weight443.63 g/mol
Exact Mass443.26
IUPAC Name6-(2-butan-2-ylphenyl)-5,9,14,14-tetramethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
SMILESCCC(C)c1ccccc1-c1cc2c(cc1C)c1c3c(ccc1n2C)C(C)(C)c1ccccc1-3
InChIInChI=1S/C33H33N/c1-7-20(2)22-12-8-9-13-23(22)25-19-30-26(18-21(25)3)32-29(34(30)6)17-16-28-31(32)24-14-10-11-15-27(24)33(28,4)5/h8-20H,7H2,1-6H3
InChIKeyMWEUOOVEGWORIS-UHFFFAOYSA-N
XLogP9.13
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.63
LogP ≤ 59.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 6-(2-butan-2-ylphenyl)-5,9,14,14-tetramethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene with MolForge

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Related Compounds

4-butan-2-yl-9,9-dimethylfluorene
CID 145292026
ethane;2,5,7,7-tetramethyl-3-(2-methylphenyl)indeno[2,1-b]carbazole
CID 142380434
2-(2-butan-2-ylphenyl)-3-methylnaphthalene
CID 144741250
4-[4-(9,9-dimethylfluoren-4-yl)-2,5-dimethylphenyl]-9,9-dimethylfluorene
CID 58986977
6,14,14-trimethyl-9-phenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 137385485
12,12,28,28-tetramethyl-1-azanonacyclo[17.13.1.02,14.05,13.06,11.015,33.020,32.021,29.022,27]tritriaconta-2(14),3,5(13),6,8,10,15,17,19(33),20(32),21(29),22,24,26,30-pentadecaene
CID 146376227
28,28-dimethyl-16-oxa-1-azanonacyclo[17.13.1.02,7.08,33.09,17.010,15.020,32.021,29.022,27]tritriaconta-2,4,6,8(33),9(17),10,12,14,18,20(32),21(29),22,24,26,30-pentadecaene
CID 146376463
2,5,6,6-tetramethylindeno[2,1-b]indole
CID 160526639
14,14-dimethyl-9-pyrimidin-2-yl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 118502300
9-methyl-14,14-diphenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 126632479
3,4,5-tri(carbazol-9-yl)-6-(14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)benzene-1,2-dicarbonitrile
CID 146325220
21,21,31,31-tetramethyl-3-phenyl-3,26-diazaundecacyclo[24.13.1.02,10.04,9.012,40.013,25.014,22.015,20.027,39.030,38.032,37]tetraconta-1,4,6,8,10,12(40),13(25),14(22),15,17,19,23,27(39),28,30(38),32,34,36-octadecaene
CID 146376435

Frequently Asked Questions

What is the IUPAC name of 6-(2-butan-2-ylphenyl)-5,9,14,14-tetramethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene?
The IUPAC name of 6-(2-butan-2-ylphenyl)-5,9,14,14-tetramethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene (CID 145449652) is 6-(2-butan-2-ylphenyl)-5,9,14,14-tetramethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene.
What is the SMILES notation for 6-(2-butan-2-ylphenyl)-5,9,14,14-tetramethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene?
The canonical SMILES for 6-(2-butan-2-ylphenyl)-5,9,14,14-tetramethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene is CCC(C)c1ccccc1-c1cc2c(cc1C)c1c3c(ccc1n2C)C(C)(C)c1ccccc1-3.
What is the InChIKey of 6-(2-butan-2-ylphenyl)-5,9,14,14-tetramethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene?
The InChIKey is MWEUOOVEGWORIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H33N/c1-7-20(2)22-12-8-9-13-23(22)25-19-30-26(18-21(25)3)32-29(34(30)6)17-16-28-31(32)24-14-10-11-15-27(24)33(28,4)5/h8-20H,7H2,1-6H3.
What are the key properties of 6-(2-butan-2-ylphenyl)-5,9,14,14-tetramethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene?
6-(2-butan-2-ylphenyl)-5,9,14,14-tetramethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene has a molecular weight of 443.63 g/mol, XLogP of 9.13, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-butan-2-ylphenyl)-5,9,14,14-tetramethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene is sourced from PubChem (CID 145449652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).