N-[4-(1-adamantyl)phenyl]-N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-9,14,14-trimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine

C51H52N2 — CID 170543265

IUPACN-[4-(1-adamantyl)phenyl]-N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-9,14,14-trimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine
SMILESCn1c2ccccc2c2c3c(ccc21)C(C)(C)c1cc(N(c2ccc(C4CC5CCC4C5)cc2)c2ccc(C45CC6CC(CC(C6)C4)C5)cc2)ccc1-3
InChIInChI=1S/C51H52N2/c1-50(2)44-20-21-47-49(42-6-4-5-7-46(42)52(47)3)48(44)41-19-18-40(27-45(41)50)53(38-14-10-35(11-15-38)43-26-31-8-9-36(43)25-31)39-16-12-37(13-17-39)51-28-32-22-33(29-51)24-34(23-32)30-51/h4-7,10-21,27,31-34,36,43H,8-9,22-26,28-30H2,1-3H3
InChIKeyNWLBEIQVFWWBOX-UHFFFAOYSA-N
MW692.99 g/mol
LogP13.48
Rot. Bonds5

About N-[4-(1-adamantyl)phenyl]-N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-9,14,14-trimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine

N-[4-(1-adamantyl)phenyl]-N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-9,14,14-trimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine (PubChem CID 170543265) has the molecular formula C51H52N2 and a molecular weight of 692.99 g/mol. Its IUPAC name is N-[4-(1-adamantyl)phenyl]-N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-9,14,14-trimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine.

Molecular Properties

Compound NameN-[4-(1-adamantyl)phenyl]-N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-9,14,14-trimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine
PubChem CID170543265
Molecular FormulaC51H52N2
Molecular Weight692.99 g/mol
Exact Mass692.41
IUPAC NameN-[4-(1-adamantyl)phenyl]-N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-9,14,14-trimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine
SMILESCn1c2ccccc2c2c3c(ccc21)C(C)(C)c1cc(N(c2ccc(C4CC5CCC4C5)cc2)c2ccc(C45CC6CC(CC(C6)C4)C5)cc2)ccc1-3
InChIInChI=1S/C51H52N2/c1-50(2)44-20-21-47-49(42-6-4-5-7-46(42)52(47)3)48(44)41-19-18-40(27-45(41)50)53(38-14-10-35(11-15-38)43-26-31-8-9-36(43)25-31)39-16-12-37(13-17-39)51-28-32-22-33(29-51)24-34(23-32)30-51/h4-7,10-21,27,31-34,36,43H,8-9,22-26,28-30H2,1-3H3
InChIKeyNWLBEIQVFWWBOX-UHFFFAOYSA-N
XLogP13.48
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.99
LogP ≤ 513.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[4-(1-adamantyl)phenyl]-N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-9,14,14-trimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine with MolForge

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Related Compounds

N-[4-(1-adamantyl)phenyl]-N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-5,11,11-trimethylindeno[1,2-b]carbazol-9-amine
CID 170543069
N-[4-(1-adamantyl)phenyl]-N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-9,9-dimethyl-5-phenylfluoren-2-amine
CID 168738714
N-[4-(1-adamantyl)phenyl]-N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-7,7-dimethylfluoreno[2,3-b][1]benzofuran-9-amine
CID 170543221
N-[4-(1-adamantyl)phenyl]-N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-11,11-dimethyl-2,5-diphenylindeno[1,2-b]carbazol-9-amine
CID 170543173
N-[4-(1-adamantyl)phenyl]-N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-12',12'-dimethylspiro[cyclopentane-1,6'-indeno[1,2-b]fluorene]-2'-amine
CID 170543114
N,N-bis[4-(1-adamantyl)phenyl]-11,12,12-trimethylindeno[2,1-a]carbazol-2-amine
CID 170543145
5-N-[4-(1-adamantyl)phenyl]-11-N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-5-N-(9,9-dimethylfluoren-2-yl)-11-N-phenyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5,11-diamine
CID 170660747
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(4-cyclohexylphenyl)-11,12,12-trimethylindeno[2,1-a]carbazol-2-amine
CID 170543198
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(4-cyclohexylphenyl)-7,7,12,12-tetramethylindeno[2,1-g]fluoren-9-amine
CID 170543143
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-9,9-dimethyl-5-naphthalen-1-yl-N-[4-(triphenyl-λ4-sulfanyl)phenyl]fluoren-2-amine
CID 170176364
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-9,9-dimethyl-5-phenyl-N-[4-(triphenyl-λ4-sulfanyl)phenyl]fluoren-2-amine
CID 170176187
N-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-5-naphthalen-1-ylfluoren-2-amine
CID 168739156

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-adamantyl)phenyl]-N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-9,14,14-trimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine?
The IUPAC name of N-[4-(1-adamantyl)phenyl]-N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-9,14,14-trimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine (CID 170543265) is N-[4-(1-adamantyl)phenyl]-N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-9,14,14-trimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine.
What is the SMILES notation for N-[4-(1-adamantyl)phenyl]-N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-9,14,14-trimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine?
The canonical SMILES for N-[4-(1-adamantyl)phenyl]-N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-9,14,14-trimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine is Cn1c2ccccc2c2c3c(ccc21)C(C)(C)c1cc(N(c2ccc(C4CC5CCC4C5)cc2)c2ccc(C45CC6CC(CC(C6)C4)C5)cc2)ccc1-3.
What is the InChIKey of N-[4-(1-adamantyl)phenyl]-N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-9,14,14-trimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine?
The InChIKey is NWLBEIQVFWWBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H52N2/c1-50(2)44-20-21-47-49(42-6-4-5-7-46(42)52(47)3)48(44)41-19-18-40(27-45(41)50)53(38-14-10-35(11-15-38)43-26-31-8-9-36(43)25-31)39-16-12-37(13-17-39)51-28-32-22-33(29-51)24-34(23-32)30-51/h4-7,10-21,27,31-34,36,43H,8-9,22-26,28-30H2,1-3H3.
What are the key properties of N-[4-(1-adamantyl)phenyl]-N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-9,14,14-trimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine?
N-[4-(1-adamantyl)phenyl]-N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-9,14,14-trimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine has a molecular weight of 692.99 g/mol, XLogP of 13.48, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-adamantyl)phenyl]-N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-9,14,14-trimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine is sourced from PubChem (CID 170543265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).