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

C74H64N2O2 — CID 162698449

IUPAC7-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
SMILESCC(C)(C)c1ccc(N(c2ccc3cc4c(cc3c2)C2(c3c-4ccc4ccc(N(c5ccc(C(C)(C)C)cc5)c5cccc6oc7ccccc7c56)cc34)C3CC4CC(C3)CC2C4)c2cccc3oc4ccccc4c23)cc1
InChIInChI=1S/C74H64N2O2/c1-72(2,3)49-24-30-53(31-25-49)75(63-15-11-19-67-69(63)58-13-7-9-17-65(58)77-67)55-29-22-47-41-61-57-34-23-46-21-28-56(43-60(46)71(57)74(62(61)42-48(47)40-55)51-36-44-35-45(38-51)39-52(74)37-44)76(54-32-26-50(27-33-54)73(4,5)6)64-16-12-20-68-70(64)59-14-8-10-18-66(59)78-68/h7-34,40-45,51-52H,35-39H2,1-6H3
InChIKeyZKCWSCMPPMYVLS-UHFFFAOYSA-N
MW1013.34 g/mol
LogP21.05
Rot. Bonds6

About 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

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 (PubChem CID 162698449) has the molecular formula C74H64N2O2 and a molecular weight of 1013.34 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-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
PubChem CID162698449
Molecular FormulaC74H64N2O2
Molecular Weight1013.34 g/mol
Exact Mass1012.50
IUPAC Name7-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
SMILESCC(C)(C)c1ccc(N(c2ccc3cc4c(cc3c2)C2(c3c-4ccc4ccc(N(c5ccc(C(C)(C)C)cc5)c5cccc6oc7ccccc7c56)cc34)C3CC4CC(C3)CC2C4)c2cccc3oc4ccccc4c23)cc1
InChIInChI=1S/C74H64N2O2/c1-72(2,3)49-24-30-53(31-25-49)75(63-15-11-19-67-69(63)58-13-7-9-17-65(58)77-67)55-29-22-47-41-61-57-34-23-46-21-28-56(43-60(46)71(57)74(62(61)42-48(47)40-55)51-36-44-35-45(38-51)39-52(74)37-44)76(54-32-26-50(27-33-54)73(4,5)6)64-16-12-20-68-70(64)59-14-8-10-18-66(59)78-68/h7-34,40-45,51-52H,35-39H2,1-6H3
InChIKeyZKCWSCMPPMYVLS-UHFFFAOYSA-N
XLogP21.05
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001013.34
LogP ≤ 521.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Related Compounds

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
10-N,16-N-bis(4-tert-butylphenyl)-10-N,16-N-di(dibenzofuran-1-yl)spiro[2-thiapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,2'-adamantane]-10,16-diamine
CID 162698443
7-N,17-N-bis(4-tert-butylphenyl)-7-N,17-N-di(dibenzofuran-4-yl)-12,12-dimethylpentacyclo[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 90140184
N-spiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-2-yl-N-spiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-3-yldibenzofuran-1-amine
CID 168722735
6-N,17-N-bis(4-tert-butylphenyl)-6-N,17-N-di(dibenzofuran-4-yl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,17-diamine
CID 166033162
7-N',17-N'-di(dibenzofuran-1-yl)-7-N',17-N'-diphenylspiro[fluorene-9,12'-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 137492867
CID 163950295
CID 163950295
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
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
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
N-(2-dibenzofuran-1-ylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-amine
CID 170215998
N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-N-spiro[adamantane-2,9'-fluorene]-2'-ylnaphtho[1,2-b][1]benzofuran-7-amine
CID 170218059

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)c1ccc(N(c2ccc3cc4c(cc3c2)C2(c3c-4ccc4ccc(N(c5ccc(C(C)(C)C)cc5)c5cccc6oc7ccccc7c56)cc34)C3CC4CC(C3)CC2C4)c2cccc3oc4ccccc4c23)cc1.
What is the InChIKey of 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?
The InChIKey is ZKCWSCMPPMYVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H64N2O2/c1-72(2,3)49-24-30-53(31-25-49)75(63-15-11-19-67-69(63)58-13-7-9-17-65(58)77-67)55-29-22-47-41-61-57-34-23-46-21-28-56(43-60(46)71(57)74(62(61)42-48(47)40-55)51-36-44-35-45(38-51)39-52(74)37-44)76(54-32-26-50(27-33-54)73(4,5)6)64-16-12-20-68-70(64)59-14-8-10-18-66(59)78-68/h7-34,40-45,51-52H,35-39H2,1-6H3.
What are the key properties of 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?
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 has a molecular weight of 1013.34 g/mol, XLogP of 21.05, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162698449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).