20-(3,5-ditert-butylphenyl)-14,14-dimethyl-20-azapentacyclo[13.3.1.16,9.02,7.08,13]icosa-1(19),2(7),3,5,8(13),9,11,15,17-nonaene

C35H37N — CID 146579608

IUPAC20-(3,5-ditert-butylphenyl)-14,14-dimethyl-20-azapentacyclo[13.3.1.16,9.02,7.08,13]icosa-1(19),2(7),3,5,8(13),9,11,15,17-nonaene
SMILESCC(C)(C)c1cc(-n2c3cccc4c3c3c(cccc32)C(C)(C)c2cccc-4c2)cc(C(C)(C)C)c1
InChIInChI=1S/C35H37N/c1-33(2,3)24-19-25(34(4,5)6)21-26(20-24)36-29-16-10-14-27-22-12-9-13-23(18-22)35(7,8)28-15-11-17-30(36)32(28)31(27)29/h9-21H,1-8H3
InChIKeyGKWJSICIVIIEON-UHFFFAOYSA-N
MW471.69 g/mol
LogP9.69
Rot. Bonds1

About 20-(3,5-ditert-butylphenyl)-14,14-dimethyl-20-azapentacyclo[13.3.1.16,9.02,7.08,13]icosa-1(19),2(7),3,5,8(13),9,11,15,17-nonaene

20-(3,5-ditert-butylphenyl)-14,14-dimethyl-20-azapentacyclo[13.3.1.16,9.02,7.08,13]icosa-1(19),2(7),3,5,8(13),9,11,15,17-nonaene (PubChem CID 146579608) has the molecular formula C35H37N and a molecular weight of 471.69 g/mol. Its IUPAC name is 20-(3,5-ditert-butylphenyl)-14,14-dimethyl-20-azapentacyclo[13.3.1.16,9.02,7.08,13]icosa-1(19),2(7),3,5,8(13),9,11,15,17-nonaene.

Molecular Properties

Compound Name20-(3,5-ditert-butylphenyl)-14,14-dimethyl-20-azapentacyclo[13.3.1.16,9.02,7.08,13]icosa-1(19),2(7),3,5,8(13),9,11,15,17-nonaene
PubChem CID146579608
Molecular FormulaC35H37N
Molecular Weight471.69 g/mol
Exact Mass471.29
IUPAC Name20-(3,5-ditert-butylphenyl)-14,14-dimethyl-20-azapentacyclo[13.3.1.16,9.02,7.08,13]icosa-1(19),2(7),3,5,8(13),9,11,15,17-nonaene
SMILESCC(C)(C)c1cc(-n2c3cccc4c3c3c(cccc32)C(C)(C)c2cccc-4c2)cc(C(C)(C)C)c1
InChIInChI=1S/C35H37N/c1-33(2,3)24-19-25(34(4,5)6)21-26(20-24)36-29-16-10-14-27-22-12-9-13-23(18-22)35(7,8)28-15-11-17-30(36)32(28)31(27)29/h9-21H,1-8H3
InChIKeyGKWJSICIVIIEON-UHFFFAOYSA-N
XLogP9.69
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.69
LogP ≤ 59.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 20-(3,5-ditert-butylphenyl)-14,14-dimethyl-20-azapentacyclo[13.3.1.16,9.02,7.08,13]icosa-1(19),2(7),3,5,8(13),9,11,15,17-nonaene with MolForge

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Related Compounds

12,20-bis(3,5-ditert-butylphenyl)-14,14-dimethyl-20-azapentacyclo[13.3.1.16,9.02,7.08,13]icosa-1(19),2(7),3,5,8,10,12,15,17-nonaene
CID 146579609
4-tert-butyl-9-(3,5-ditert-butylphenyl)-3,5-diphenylcarbazole
CID 146578604
3,4-ditert-butyl-5,9-bis(3,5-ditert-butylphenyl)carbazole
CID 146579007
3-tert-butyl-5,9-bis(3,5-ditert-butylphenyl)-4-methylcarbazole
CID 164845430
4,5-bis(9,9-dimethylfluoren-3-yl)-9-(4-phenylphenyl)carbazole
CID 139496590
4-[3-[3-[9-[3-(3,5-ditert-butylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]-9,9-dimethylfluorene
CID 140873499
4-tert-butyl-5,9-bis(3,5-ditert-butylphenyl)-3-(2,3,4,6-tetradeuterio-5-methylphenyl)carbazole;4-tert-butyl-3,5,9-tris(3,5-ditert-butylphenyl)carbazole;3,4-ditert-butyl-5,9-bis(3,5-ditert-butylphenyl)carbazole
CID 158942871
4-tert-butyl-3-carbazol-9-yl-5-(3,5-ditert-butylphenyl)-9-phenylcarbazole
CID 146578603
4-[9-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]fluoren-9-yl]-N,N-bis[4-[9-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]fluoren-9-yl]phenyl]aniline
CID 59561697
N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-phenylcarbazol-4-amine
CID 170304052
2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline
CID 170304124
N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-2-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 170304094

Frequently Asked Questions

What is the IUPAC name of 20-(3,5-ditert-butylphenyl)-14,14-dimethyl-20-azapentacyclo[13.3.1.16,9.02,7.08,13]icosa-1(19),2(7),3,5,8(13),9,11,15,17-nonaene?
The IUPAC name of 20-(3,5-ditert-butylphenyl)-14,14-dimethyl-20-azapentacyclo[13.3.1.16,9.02,7.08,13]icosa-1(19),2(7),3,5,8(13),9,11,15,17-nonaene (CID 146579608) is 20-(3,5-ditert-butylphenyl)-14,14-dimethyl-20-azapentacyclo[13.3.1.16,9.02,7.08,13]icosa-1(19),2(7),3,5,8(13),9,11,15,17-nonaene.
What is the SMILES notation for 20-(3,5-ditert-butylphenyl)-14,14-dimethyl-20-azapentacyclo[13.3.1.16,9.02,7.08,13]icosa-1(19),2(7),3,5,8(13),9,11,15,17-nonaene?
The canonical SMILES for 20-(3,5-ditert-butylphenyl)-14,14-dimethyl-20-azapentacyclo[13.3.1.16,9.02,7.08,13]icosa-1(19),2(7),3,5,8(13),9,11,15,17-nonaene is CC(C)(C)c1cc(-n2c3cccc4c3c3c(cccc32)C(C)(C)c2cccc-4c2)cc(C(C)(C)C)c1.
What is the InChIKey of 20-(3,5-ditert-butylphenyl)-14,14-dimethyl-20-azapentacyclo[13.3.1.16,9.02,7.08,13]icosa-1(19),2(7),3,5,8(13),9,11,15,17-nonaene?
The InChIKey is GKWJSICIVIIEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H37N/c1-33(2,3)24-19-25(34(4,5)6)21-26(20-24)36-29-16-10-14-27-22-12-9-13-23(18-22)35(7,8)28-15-11-17-30(36)32(28)31(27)29/h9-21H,1-8H3.
What are the key properties of 20-(3,5-ditert-butylphenyl)-14,14-dimethyl-20-azapentacyclo[13.3.1.16,9.02,7.08,13]icosa-1(19),2(7),3,5,8(13),9,11,15,17-nonaene?
20-(3,5-ditert-butylphenyl)-14,14-dimethyl-20-azapentacyclo[13.3.1.16,9.02,7.08,13]icosa-1(19),2(7),3,5,8(13),9,11,15,17-nonaene has a molecular weight of 471.69 g/mol, XLogP of 9.69, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 20-(3,5-ditert-butylphenyl)-14,14-dimethyl-20-azapentacyclo[13.3.1.16,9.02,7.08,13]icosa-1(19),2(7),3,5,8(13),9,11,15,17-nonaene is sourced from PubChem (CID 146579608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).