9',9'-dimethyl-6-N',6-N',19-N',19-N'-tetrakis[4-(trideuteriomethyl)phenyl]spiro[adamantane-2,24'-hexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3(8),4,6,11,14(23),15,17,19,21-undecaene]-6',19'-diamine

C63H58N2 — CID 162698362

IUPAC9',9'-dimethyl-6-N',6-N',19-N',19-N'-tetrakis[4-(trideuteriomethyl)phenyl]spiro[adamantane-2,24'-hexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3(8),4,6,11,14(23),15,17,19,21-undecaene]-6',19'-diamine
SMILES[2H]C([2H])([2H])c1ccc(N(c2ccc(C([2H])([2H])[2H])cc2)c2ccc3c(c2)C(C)(C)c2ccc4c(c2-3)C2(c3cc5cc(N(c6ccc(C([2H])([2H])[2H])cc6)c6ccc(C([2H])([2H])[2H])cc6)ccc5cc3-4)C3CC4CC(C3)CC2C4)cc1
InChIInChI=1S/C63H58N2/c1-38-7-16-48(17-8-38)64(49-18-9-39(2)10-19-49)52-24-15-44-35-56-54-27-28-57-60(61(54)63(59(56)36-45(44)34-52)46-30-42-29-43(32-46)33-47(63)31-42)55-26-25-53(37-58(55)62(57,5)6)65(50-20-11-40(3)12-21-50)51-22-13-41(4)14-23-51/h7-28,34-37,42-43,46-47H,29-33H2,1-6H3/i1D3,2D3,3D3,4D3
InChIKeyHPVABBGVNYWXHQ-MGKWXGLJSA-N
MW855.24 g/mol
LogP17.04
Rot. Bonds10

About 9',9'-dimethyl-6-N',6-N',19-N',19-N'-tetrakis[4-(trideuteriomethyl)phenyl]spiro[adamantane-2,24'-hexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3(8),4,6,11,14(23),15,17,19,21-undecaene]-6',19'-diamine

9',9'-dimethyl-6-N',6-N',19-N',19-N'-tetrakis[4-(trideuteriomethyl)phenyl]spiro[adamantane-2,24'-hexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3(8),4,6,11,14(23),15,17,19,21-undecaene]-6',19'-diamine (PubChem CID 162698362) has the molecular formula C63H58N2 and a molecular weight of 855.24 g/mol. Its IUPAC name is 9',9'-dimethyl-6-N',6-N',19-N',19-N'-tetrakis[4-(trideuteriomethyl)phenyl]spiro[adamantane-2,24'-hexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3(8),4,6,11,14(23),15,17,19,21-undecaene]-6',19'-diamine.

Molecular Properties

Compound Name9',9'-dimethyl-6-N',6-N',19-N',19-N'-tetrakis[4-(trideuteriomethyl)phenyl]spiro[adamantane-2,24'-hexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3(8),4,6,11,14(23),15,17,19,21-undecaene]-6',19'-diamine
PubChem CID162698362
Molecular FormulaC63H58N2
Molecular Weight855.24 g/mol
Exact Mass854.54
IUPAC Name9',9'-dimethyl-6-N',6-N',19-N',19-N'-tetrakis[4-(trideuteriomethyl)phenyl]spiro[adamantane-2,24'-hexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3(8),4,6,11,14(23),15,17,19,21-undecaene]-6',19'-diamine
SMILES[2H]C([2H])([2H])c1ccc(N(c2ccc(C([2H])([2H])[2H])cc2)c2ccc3c(c2)C(C)(C)c2ccc4c(c2-3)C2(c3cc5cc(N(c6ccc(C([2H])([2H])[2H])cc6)c6ccc(C([2H])([2H])[2H])cc6)ccc5cc3-4)C3CC4CC(C3)CC2C4)cc1
InChIInChI=1S/C63H58N2/c1-38-7-16-48(17-8-38)64(49-18-9-39(2)10-19-49)52-24-15-44-35-56-54-27-28-57-60(61(54)63(59(56)36-45(44)34-52)46-30-42-29-43(32-46)33-47(63)31-42)55-26-25-53(37-58(55)62(57,5)6)65(50-20-11-40(3)12-21-50)51-22-13-41(4)14-23-51/h7-28,34-37,42-43,46-47H,29-33H2,1-6H3/i1D3,2D3,3D3,4D3
InChIKeyHPVABBGVNYWXHQ-MGKWXGLJSA-N
XLogP17.04
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500855.24
LogP ≤ 517.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9',9'-dimethyl-6-N',6-N',19-N',19-N'-tetrakis[4-(trideuteriomethyl)phenyl]spiro[adamantane-2,24'-hexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3(8),4,6,11,14(23),15,17,19,21-undecaene]-6',19'-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-N',7-N',17-N',17-N'-tetraphenylspiro[adamantane-2,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7',17'-diamine
CID 162698352
11-N',19-N'-bis(9,9-dimethylfluoren-2-yl)-9',9'-dimethyl-11-N',19-N'-dinaphthalen-2-ylspiro[adamantane-2,14'-hexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1,3,5,7,10,12,15(24),16,18,20,22-undecaene]-11',19'-diamine
CID 162698445
12,12-dimethyl-N-phenyl-N-(7,7,12,12-tetramethylindeno[2,1-g]fluoren-9-yl)pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-amine
CID 130290640
CID 163950295
CID 163950295
N-(9,9-dimethylfluoren-3-yl)-N-naphthalen-2-ylspiro[adamantane-2,9'-fluorene]-3'-amine
CID 156567514
8-N,21-N-bis(4-tert-butylphenyl)-24,24-dimethyl-8-N,21-N-bis(4-triethylsilylphenyl)spiro[5-thiaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.018,23]heptacosa-1(16),2(14),3,6(11),7,9,12,17(25),18(23),19,21,26-dodecaene-15,2'-adamantane]-8,21-diamine
CID 162698552
N-(9,9-dimethylfluoren-2-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-amine
CID 170143589
N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[adamantane-2,9'-fluorene]-1'-amine
CID 156567349
N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-9',9'-diphenylspiro[adamantane-2,10'-anthracene]-2'-amine
CID 160950245
N-naphthalen-2-yl-N-spiro[adamantane-2,9'-fluorene]-2'-ylspiro[adamantane-2,9'-fluorene]-4'-amine
CID 168722460
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 155393837
N-(7,7-dimethylbenzo[g]fluoren-9-yl)-N-(3,5-dimethylphenyl)-12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-amine
CID 130290624

Frequently Asked Questions

What is the IUPAC name of 9',9'-dimethyl-6-N',6-N',19-N',19-N'-tetrakis[4-(trideuteriomethyl)phenyl]spiro[adamantane-2,24'-hexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3(8),4,6,11,14(23),15,17,19,21-undecaene]-6',19'-diamine?
The IUPAC name of 9',9'-dimethyl-6-N',6-N',19-N',19-N'-tetrakis[4-(trideuteriomethyl)phenyl]spiro[adamantane-2,24'-hexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3(8),4,6,11,14(23),15,17,19,21-undecaene]-6',19'-diamine (CID 162698362) is 9',9'-dimethyl-6-N',6-N',19-N',19-N'-tetrakis[4-(trideuteriomethyl)phenyl]spiro[adamantane-2,24'-hexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3(8),4,6,11,14(23),15,17,19,21-undecaene]-6',19'-diamine.
What is the SMILES notation for 9',9'-dimethyl-6-N',6-N',19-N',19-N'-tetrakis[4-(trideuteriomethyl)phenyl]spiro[adamantane-2,24'-hexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3(8),4,6,11,14(23),15,17,19,21-undecaene]-6',19'-diamine?
The canonical SMILES for 9',9'-dimethyl-6-N',6-N',19-N',19-N'-tetrakis[4-(trideuteriomethyl)phenyl]spiro[adamantane-2,24'-hexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3(8),4,6,11,14(23),15,17,19,21-undecaene]-6',19'-diamine is [2H]C([2H])([2H])c1ccc(N(c2ccc(C([2H])([2H])[2H])cc2)c2ccc3c(c2)C(C)(C)c2ccc4c(c2-3)C2(c3cc5cc(N(c6ccc(C([2H])([2H])[2H])cc6)c6ccc(C([2H])([2H])[2H])cc6)ccc5cc3-4)C3CC4CC(C3)CC2C4)cc1.
What is the InChIKey of 9',9'-dimethyl-6-N',6-N',19-N',19-N'-tetrakis[4-(trideuteriomethyl)phenyl]spiro[adamantane-2,24'-hexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3(8),4,6,11,14(23),15,17,19,21-undecaene]-6',19'-diamine?
The InChIKey is HPVABBGVNYWXHQ-MGKWXGLJSA-N. The full InChI is InChI=1S/C63H58N2/c1-38-7-16-48(17-8-38)64(49-18-9-39(2)10-19-49)52-24-15-44-35-56-54-27-28-57-60(61(54)63(59(56)36-45(44)34-52)46-30-42-29-43(32-46)33-47(63)31-42)55-26-25-53(37-58(55)62(57,5)6)65(50-20-11-40(3)12-21-50)51-22-13-41(4)14-23-51/h7-28,34-37,42-43,46-47H,29-33H2,1-6H3/i1D3,2D3,3D3,4D3.
What are the key properties of 9',9'-dimethyl-6-N',6-N',19-N',19-N'-tetrakis[4-(trideuteriomethyl)phenyl]spiro[adamantane-2,24'-hexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3(8),4,6,11,14(23),15,17,19,21-undecaene]-6',19'-diamine?
9',9'-dimethyl-6-N',6-N',19-N',19-N'-tetrakis[4-(trideuteriomethyl)phenyl]spiro[adamantane-2,24'-hexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3(8),4,6,11,14(23),15,17,19,21-undecaene]-6',19'-diamine has a molecular weight of 855.24 g/mol, XLogP of 17.04, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9',9'-dimethyl-6-N',6-N',19-N',19-N'-tetrakis[4-(trideuteriomethyl)phenyl]spiro[adamantane-2,24'-hexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3(8),4,6,11,14(23),15,17,19,21-undecaene]-6',19'-diamine is sourced from PubChem (CID 162698362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).