8-N,22-N-bis(4-tert-butylphenyl)-8-N,22-N-dinaphthalen-1-ylspiro[11,25-dioxaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5(10),6,8,12,17,19(24),20,22,26-dodecaene-15,2'-adamantane]-8,22-diamine;N-(4-tert-butylphenyl)naphthalen-1-amine;8,22-dibromospiro[11,25-dioxaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5(10),6,8,12,17,19(24),20,22,26-dodecaene-15,2'-adamantane];methane

C129H113Br2N3O4 — CID 163817323

IUPAC8-N,22-N-bis(4-tert-butylphenyl)-8-N,22-N-dinaphthalen-1-ylspiro[11,25-dioxaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5(10),6,8,12,17,19(24),20,22,26-dodecaene-15,2'-adamantane]-8,22-diamine;N-(4-tert-butylphenyl)naphthalen-1-amine;8,22-dibromospiro[11,25-dioxaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5(10),6,8,12,17,19(24),20,22,26-dodecaene-15,2'-adamantane];methane
SMILESBrc1ccc2c(c1)oc1cc3c(cc12)-c1cc2oc4cc(Br)ccc4c2cc1C31C2CC3CC(C2)CC1C3.C.CC(C)(C)c1ccc(N(c2ccc3c(c2)oc2cc4c(cc23)-c2cc3oc5cc(N(c6ccc(C(C)(C)C)cc6)c6cccc7ccccc67)ccc5c3cc2C42C3CC4CC(C3)CC2C4)c2cccc3ccccc23)cc1.CC(C)(C)c1ccc(Nc2cccc3ccccc23)cc1
InChIInChI=1S/C74H64N2O2.C34H24Br2O2.C20H21N.CH4/c1-72(2,3)48-21-25-52(26-22-48)75(66-19-11-15-46-13-7-9-17-56(46)66)54-29-31-58-62-40-60-61-42-70-63(41-64(61)74(65(60)43-71(62)78-68(58)38-54)50-34-44-33-45(36-50)37-51(74)35-44)59-32-30-55(39-69(59)77-70)76(53-27-23-49(24-28-53)73(4,5)6)67-20-12-16-47-14-8-10-18-57(47)67;35-20-1-3-22-26-12-24-25-14-32-27(23-4-2-21(36)11-31(23)37-32)13-28(25)34(29(24)15-33(26)38-30(22)10-20)18-6-16-5-17(8-18)9-19(34)7-16;1-20(2,3)16-11-13-17(14-12-16)21-19-10-6-8-15-7-4-5-9-18(15)19;/h7-32,38-45,50-51H,33-37H2,1-6H3;1-4,10-19H,5-9H2;4-14,21H,1-3H3;1H4
InChIKeyNSLLPJGDSMVHLS-UHFFFAOYSA-N
MW1929.15 g/mol
LogP38.30
Rot. Bonds8

About 8-N,22-N-bis(4-tert-butylphenyl)-8-N,22-N-dinaphthalen-1-ylspiro[11,25-dioxaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5(10),6,8,12,17,19(24),20,22,26-dodecaene-15,2'-adamantane]-8,22-diamine;N-(4-tert-butylphenyl)naphthalen-1-amine;8,22-dibromospiro[11,25-dioxaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5(10),6,8,12,17,19(24),20,22,26-dodecaene-15,2'-adamantane];methane

8-N,22-N-bis(4-tert-butylphenyl)-8-N,22-N-dinaphthalen-1-ylspiro[11,25-dioxaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5(10),6,8,12,17,19(24),20,22,26-dodecaene-15,2'-adamantane]-8,22-diamine;N-(4-tert-butylphenyl)naphthalen-1-amine;8,22-dibromospiro[11,25-dioxaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5(10),6,8,12,17,19(24),20,22,26-dodecaene-15,2'-adamantane];methane (PubChem CID 163817323) has the molecular formula C129H113Br2N3O4 and a molecular weight of 1929.15 g/mol. Its IUPAC name is 8-N,22-N-bis(4-tert-butylphenyl)-8-N,22-N-dinaphthalen-1-ylspiro[11,25-dioxaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5(10),6,8,12,17,19(24),20,22,26-dodecaene-15,2'-adamantane]-8,22-diamine;N-(4-tert-butylphenyl)naphthalen-1-amine;8,22-dibromospiro[11,25-dioxaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5(10),6,8,12,17,19(24),20,22,26-dodecaene-15,2'-adamantane];methane.

Molecular Properties

Compound Name8-N,22-N-bis(4-tert-butylphenyl)-8-N,22-N-dinaphthalen-1-ylspiro[11,25-dioxaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5(10),6,8,12,17,19(24),20,22,26-dodecaene-15,2'-adamantane]-8,22-diamine;N-(4-tert-butylphenyl)naphthalen-1-amine;8,22-dibromospiro[11,25-dioxaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5(10),6,8,12,17,19(24),20,22,26-dodecaene-15,2'-adamantane];methane
PubChem CID163817323
Molecular FormulaC129H113Br2N3O4
Molecular Weight1929.15 g/mol
Exact Mass1925.71
IUPAC Name8-N,22-N-bis(4-tert-butylphenyl)-8-N,22-N-dinaphthalen-1-ylspiro[11,25-dioxaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5(10),6,8,12,17,19(24),20,22,26-dodecaene-15,2'-adamantane]-8,22-diamine;N-(4-tert-butylphenyl)naphthalen-1-amine;8,22-dibromospiro[11,25-dioxaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5(10),6,8,12,17,19(24),20,22,26-dodecaene-15,2'-adamantane];methane
SMILESBrc1ccc2c(c1)oc1cc3c(cc12)-c1cc2oc4cc(Br)ccc4c2cc1C31C2CC3CC(C2)CC1C3.C.CC(C)(C)c1ccc(N(c2ccc3c(c2)oc2cc4c(cc23)-c2cc3oc5cc(N(c6ccc(C(C)(C)C)cc6)c6cccc7ccccc67)ccc5c3cc2C42C3CC4CC(C3)CC2C4)c2cccc3ccccc23)cc1.CC(C)(C)c1ccc(Nc2cccc3ccccc23)cc1
InChIInChI=1S/C74H64N2O2.C34H24Br2O2.C20H21N.CH4/c1-72(2,3)48-21-25-52(26-22-48)75(66-19-11-15-46-13-7-9-17-56(46)66)54-29-31-58-62-40-60-61-42-70-63(41-64(61)74(65(60)43-71(62)78-68(58)38-54)50-34-44-33-45(36-50)37-51(74)35-44)59-32-30-55(39-69(59)77-70)76(53-27-23-49(24-28-53)73(4,5)6)67-20-12-16-47-14-8-10-18-57(47)67;35-20-1-3-22-26-12-24-25-14-32-27(23-4-2-21(36)11-31(23)37-32)13-28(25)34(29(24)15-33(26)38-30(22)10-20)18-6-16-5-17(8-18)9-19(34)7-16;1-20(2,3)16-11-13-17(14-12-16)21-19-10-6-8-15-7-4-5-9-18(15)19;/h7-32,38-45,50-51H,33-37H2,1-6H3;1-4,10-19H,5-9H2;4-14,21H,1-3H3;1H4
InChIKeyNSLLPJGDSMVHLS-UHFFFAOYSA-N
XLogP38.30
TPSA71.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms138
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001929.15
LogP ≤ 538.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 8-N,22-N-bis(4-tert-butylphenyl)-8-N,22-N-dinaphthalen-1-ylspiro[11,25-dioxaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5(10),6,8,12,17,19(24),20,22,26-dodecaene-15,2'-adamantane]-8,22-diamine;N-(4-tert-butylphenyl)naphthalen-1-amine;8,22-dibromospiro[11,25-dioxaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5(10),6,8,12,17,19(24),20,22,26-dodecaene-15,2'-adamantane];methane with MolForge

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Related Compounds

8-N,22-N-bis(4-tert-butylphenyl)-8-N,22-N-di(dibenzofuran-3-yl)spiro[11,25-dithiaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5(10),6,8,12,17,19(24),20,22,26-dodecaene-15,2'-adamantane]-8,22-diamine
CID 162698368
7-N',16-N'-bis(4-tert-butylphenyl)-7-N',16-N'-di(dibenzofuran-1-yl)spiro[adamantane-2,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-7',16'-diamine
CID 162698449
N-(4-phenylnaphthalen-1-yl)-N-[4-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-amine;N-(2-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)dibenzofuran-2-amine;N-(2-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)dibenzofuran-3-amine;N-(2-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)naphthalen-1-amine
CID 161481713
N-naphthalen-1-yl-N-phenylspiro[adamantane-2,9'-fluorene]-2'-amine
CID 155393699
2,7-dibromo-9H-fluorene;2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenyl-9H-fluorene-2,7-diamine;N-phenylnaphthalen-1-amine
CID 159097880
N-(4-bromophenyl)-N-naphthalen-1-yldibenzofuran-3-amine
CID 131980093
5-N',9-N'-bis[4-(4-tert-butylphenyl)phenyl]-5-N',9-N'-di(dibenzofuran-3-yl)spiro[adamantane-2,7'-benzo[c]xanthene]-5',9'-diamine
CID 147274546
N-(4-naphthalen-1-ylphenyl)-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine
CID 156573602
9-N',15-N'-bis(4-tert-butylphenyl)-9-N',15-N'-di(dibenzofuran-1-yl)spiro[adamantane-2,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',15'-diamine
CID 162698580
N,N-diphenylspiro[adamantane-2,9'-fluorene]-3'-amine;N-naphthalen-1-yl-N-phenylspiro[adamantane-2,9'-fluorene]-3'-amine;N-naphthalen-2-yl-N-phenylspiro[adamantane-2,9'-fluorene]-3'-amine;N-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine;N-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzothiophen-3-amine
CID 163764873
N,N-di(spiro[adamantane-2,9'-fluorene]-2'-yl)dibenzofuran-3-amine
CID 168722758
8-tert-butyl-N-(4-tert-butylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzofuran-3-amine
CID 168802218

Frequently Asked Questions

What is the IUPAC name of 8-N,22-N-bis(4-tert-butylphenyl)-8-N,22-N-dinaphthalen-1-ylspiro[11,25-dioxaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5(10),6,8,12,17,19(24),20,22,26-dodecaene-15,2'-adamantane]-8,22-diamine;N-(4-tert-butylphenyl)naphthalen-1-amine;8,22-dibromospiro[11,25-dioxaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5(10),6,8,12,17,19(24),20,22,26-dodecaene-15,2'-adamantane];methane?
The IUPAC name of 8-N,22-N-bis(4-tert-butylphenyl)-8-N,22-N-dinaphthalen-1-ylspiro[11,25-dioxaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5(10),6,8,12,17,19(24),20,22,26-dodecaene-15,2'-adamantane]-8,22-diamine;N-(4-tert-butylphenyl)naphthalen-1-amine;8,22-dibromospiro[11,25-dioxaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5(10),6,8,12,17,19(24),20,22,26-dodecaene-15,2'-adamantane];methane (CID 163817323) is 8-N,22-N-bis(4-tert-butylphenyl)-8-N,22-N-dinaphthalen-1-ylspiro[11,25-dioxaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5(10),6,8,12,17,19(24),20,22,26-dodecaene-15,2'-adamantane]-8,22-diamine;N-(4-tert-butylphenyl)naphthalen-1-amine;8,22-dibromospiro[11,25-dioxaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5(10),6,8,12,17,19(24),20,22,26-dodecaene-15,2'-adamantane];methane.
What is the SMILES notation for 8-N,22-N-bis(4-tert-butylphenyl)-8-N,22-N-dinaphthalen-1-ylspiro[11,25-dioxaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5(10),6,8,12,17,19(24),20,22,26-dodecaene-15,2'-adamantane]-8,22-diamine;N-(4-tert-butylphenyl)naphthalen-1-amine;8,22-dibromospiro[11,25-dioxaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5(10),6,8,12,17,19(24),20,22,26-dodecaene-15,2'-adamantane];methane?
The canonical SMILES for 8-N,22-N-bis(4-tert-butylphenyl)-8-N,22-N-dinaphthalen-1-ylspiro[11,25-dioxaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5(10),6,8,12,17,19(24),20,22,26-dodecaene-15,2'-adamantane]-8,22-diamine;N-(4-tert-butylphenyl)naphthalen-1-amine;8,22-dibromospiro[11,25-dioxaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5(10),6,8,12,17,19(24),20,22,26-dodecaene-15,2'-adamantane];methane is Brc1ccc2c(c1)oc1cc3c(cc12)-c1cc2oc4cc(Br)ccc4c2cc1C31C2CC3CC(C2)CC1C3.C.CC(C)(C)c1ccc(N(c2ccc3c(c2)oc2cc4c(cc23)-c2cc3oc5cc(N(c6ccc(C(C)(C)C)cc6)c6cccc7ccccc67)ccc5c3cc2C42C3CC4CC(C3)CC2C4)c2cccc3ccccc23)cc1.CC(C)(C)c1ccc(Nc2cccc3ccccc23)cc1.
What is the InChIKey of 8-N,22-N-bis(4-tert-butylphenyl)-8-N,22-N-dinaphthalen-1-ylspiro[11,25-dioxaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5(10),6,8,12,17,19(24),20,22,26-dodecaene-15,2'-adamantane]-8,22-diamine;N-(4-tert-butylphenyl)naphthalen-1-amine;8,22-dibromospiro[11,25-dioxaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5(10),6,8,12,17,19(24),20,22,26-dodecaene-15,2'-adamantane];methane?
The InChIKey is NSLLPJGDSMVHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H64N2O2.C34H24Br2O2.C20H21N.CH4/c1-72(2,3)48-21-25-52(26-22-48)75(66-19-11-15-46-13-7-9-17-56(46)66)54-29-31-58-62-40-60-61-42-70-63(41-64(61)74(65(60)43-71(62)78-68(58)38-54)50-34-44-33-45(36-50)37-51(74)35-44)59-32-30-55(39-69(59)77-70)76(53-27-23-49(24-28-53)73(4,5)6)67-20-12-16-47-14-8-10-18-57(47)67;35-20-1-3-22-26-12-24-25-14-32-27(23-4-2-21(36)11-31(23)37-32)13-28(25)34(29(24)15-33(26)38-30(22)10-20)18-6-16-5-17(8-18)9-19(34)7-16;1-20(2,3)16-11-13-17(14-12-16)21-19-10-6-8-15-7-4-5-9-18(15)19;/h7-32,38-45,50-51H,33-37H2,1-6H3;1-4,10-19H,5-9H2;4-14,21H,1-3H3;1H4.
What are the key properties of 8-N,22-N-bis(4-tert-butylphenyl)-8-N,22-N-dinaphthalen-1-ylspiro[11,25-dioxaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5(10),6,8,12,17,19(24),20,22,26-dodecaene-15,2'-adamantane]-8,22-diamine;N-(4-tert-butylphenyl)naphthalen-1-amine;8,22-dibromospiro[11,25-dioxaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5(10),6,8,12,17,19(24),20,22,26-dodecaene-15,2'-adamantane];methane?
8-N,22-N-bis(4-tert-butylphenyl)-8-N,22-N-dinaphthalen-1-ylspiro[11,25-dioxaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5(10),6,8,12,17,19(24),20,22,26-dodecaene-15,2'-adamantane]-8,22-diamine;N-(4-tert-butylphenyl)naphthalen-1-amine;8,22-dibromospiro[11,25-dioxaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5(10),6,8,12,17,19(24),20,22,26-dodecaene-15,2'-adamantane];methane has a molecular weight of 1929.15 g/mol, XLogP of 38.30, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N,22-N-bis(4-tert-butylphenyl)-8-N,22-N-dinaphthalen-1-ylspiro[11,25-dioxaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5(10),6,8,12,17,19(24),20,22,26-dodecaene-15,2'-adamantane]-8,22-diamine;N-(4-tert-butylphenyl)naphthalen-1-amine;8,22-dibromospiro[11,25-dioxaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5(10),6,8,12,17,19(24),20,22,26-dodecaene-15,2'-adamantane];methane is sourced from PubChem (CID 163817323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).