11-N,17-N-bis(4-tert-butylphenyl)-11-N,17-N-dinaphthalen-2-yl-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene-11,17-diamine

C62H50N2O2 — CID 138651102

IUPAC11-N,17-N-bis(4-tert-butylphenyl)-11-N,17-N-dinaphthalen-2-yl-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene-11,17-diamine
SMILESCC(C)(C)c1ccc(N(c2ccc3ccccc3c2)c2cc3oc4cc(N(c5ccc(C(C)(C)C)cc5)c5ccc6ccccc6c5)c5oc6ccccc6c5c4c3c3ccccc23)cc1
InChIInChI=1S/C62H50N2O2/c1-61(2,3)43-25-31-45(32-26-43)63(47-29-23-39-15-7-9-17-41(39)35-47)52-37-55-57(50-20-12-11-19-49(50)52)59-56(65-55)38-53(60-58(59)51-21-13-14-22-54(51)66-60)64(46-33-27-44(28-34-46)62(4,5)6)48-30-24-40-16-8-10-18-42(40)36-48/h7-38H,1-6H3
InChIKeyQDGFPQARSONBMT-UHFFFAOYSA-N
MW855.09 g/mol
LogP18.48
Rot. Bonds6

About 11-N,17-N-bis(4-tert-butylphenyl)-11-N,17-N-dinaphthalen-2-yl-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene-11,17-diamine

11-N,17-N-bis(4-tert-butylphenyl)-11-N,17-N-dinaphthalen-2-yl-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene-11,17-diamine (PubChem CID 138651102) has the molecular formula C62H50N2O2 and a molecular weight of 855.09 g/mol. Its IUPAC name is 11-N,17-N-bis(4-tert-butylphenyl)-11-N,17-N-dinaphthalen-2-yl-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene-11,17-diamine.

Molecular Properties

Compound Name11-N,17-N-bis(4-tert-butylphenyl)-11-N,17-N-dinaphthalen-2-yl-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene-11,17-diamine
PubChem CID138651102
Molecular FormulaC62H50N2O2
Molecular Weight855.09 g/mol
Exact Mass854.39
IUPAC Name11-N,17-N-bis(4-tert-butylphenyl)-11-N,17-N-dinaphthalen-2-yl-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene-11,17-diamine
SMILESCC(C)(C)c1ccc(N(c2ccc3ccccc3c2)c2cc3oc4cc(N(c5ccc(C(C)(C)C)cc5)c5ccc6ccccc6c5)c5oc6ccccc6c5c4c3c3ccccc23)cc1
InChIInChI=1S/C62H50N2O2/c1-61(2,3)43-25-31-45(32-26-43)63(47-29-23-39-15-7-9-17-41(39)35-47)52-37-55-57(50-20-12-11-19-49(50)52)59-56(65-55)38-53(60-58(59)51-21-13-14-22-54(51)66-60)64(46-33-27-44(28-34-46)62(4,5)6)48-30-24-40-16-8-10-18-42(40)36-48/h7-38H,1-6H3
InChIKeyQDGFPQARSONBMT-UHFFFAOYSA-N
XLogP18.48
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500855.09
LogP ≤ 518.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 11-N,17-N-bis(4-tert-butylphenyl)-11-N,17-N-dinaphthalen-2-yl-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene-11,17-diamine with MolForge

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Related Compounds

12-N,12-N,18-N-tris(4-tert-butylphenyl)-18-N-naphthalen-2-yl-15,15-diphenyl-10,20-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(27),2,4,6,8,11,13,16,18,21,23,25-dodecaene-12,18-diamine
CID 162712140
14-N,31-N-bis(4-tert-butylphenyl)-14-N,31-N-bis(2-methylphenyl)-12,17,29,34-tetraoxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),23,25,27,31-pentadecaene-14,31-diamine
CID 134561116
12-N,18-N,18-N-tris(4-tert-butylphenyl)-12-N-naphthalen-2-ylspiro[10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-15,9'-fluorene]-12,18-diamine
CID 162712218
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
6-N,12-N-bis(4-methylphenyl)-6-N,12-N-diphenyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-6,12-diamine
CID 138651057
N-naphthalen-2-yl-N-phenanthren-9-yldibenzofuran-2-amine
CID 118405743
12-N-(4-tert-butylphenyl)-18-N,18-N-diphenyl-12-N-(4-phenylphenyl)spiro[10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-15,9'-fluorene]-12,18-diamine;12-N,18-N-diphenyl-12-N,18-N-bis(4-phenylphenyl)spiro[10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-15,9'-fluorene]-12,18-diamine;12-N-naphthalen-2-yl-18-N,18-N-diphenyl-12-N-(4-phenylphenyl)spiro[10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-15,9'-fluorene]-12,18-diamine;12-N,18-N,18-N-tris(4-tert-butylphenyl)-12-N-(4-phenylphenyl)spiro[10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-15,9'-fluorene]-12,18-diamine
CID 163642963
7-N,17-N-bis(4-tert-butylphenyl)-7-N,17-N-bis(1-phenyldibenzofuran-2-yl)-12-oxapentacyclo[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 171728710
7-N,21-N-bis(4-tert-butylphenyl)-7-N,21-N-di(dibenzofuran-3-yl)-10,15,24-trioxaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4(9),5,7,12,17(25),18(23),19,21,26-dodecaene-7,21-diamine
CID 158493621
3-N,8-N-bis(4-tert-butylphenyl)-3-N,8-N-di(dibenzofuran-3-yl)-4-methylnaphtho[3,2-b][1]benzofuran-3,8-diamine
CID 139574656
9-N,10-N-bis(4-tert-butylphenyl)-9-N,10-N-dinaphthalen-2-ylanthracene-9,10-diamine
CID 59133433
N,N-bis(4-tert-butylphenyl)phenanthren-9-amine
CID 177481694

Frequently Asked Questions

What is the IUPAC name of 11-N,17-N-bis(4-tert-butylphenyl)-11-N,17-N-dinaphthalen-2-yl-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene-11,17-diamine?
The IUPAC name of 11-N,17-N-bis(4-tert-butylphenyl)-11-N,17-N-dinaphthalen-2-yl-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene-11,17-diamine (CID 138651102) is 11-N,17-N-bis(4-tert-butylphenyl)-11-N,17-N-dinaphthalen-2-yl-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene-11,17-diamine.
What is the SMILES notation for 11-N,17-N-bis(4-tert-butylphenyl)-11-N,17-N-dinaphthalen-2-yl-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene-11,17-diamine?
The canonical SMILES for 11-N,17-N-bis(4-tert-butylphenyl)-11-N,17-N-dinaphthalen-2-yl-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene-11,17-diamine is CC(C)(C)c1ccc(N(c2ccc3ccccc3c2)c2cc3oc4cc(N(c5ccc(C(C)(C)C)cc5)c5ccc6ccccc6c5)c5oc6ccccc6c5c4c3c3ccccc23)cc1.
What is the InChIKey of 11-N,17-N-bis(4-tert-butylphenyl)-11-N,17-N-dinaphthalen-2-yl-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene-11,17-diamine?
The InChIKey is QDGFPQARSONBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H50N2O2/c1-61(2,3)43-25-31-45(32-26-43)63(47-29-23-39-15-7-9-17-41(39)35-47)52-37-55-57(50-20-12-11-19-49(50)52)59-56(65-55)38-53(60-58(59)51-21-13-14-22-54(51)66-60)64(46-33-27-44(28-34-46)62(4,5)6)48-30-24-40-16-8-10-18-42(40)36-48/h7-38H,1-6H3.
What are the key properties of 11-N,17-N-bis(4-tert-butylphenyl)-11-N,17-N-dinaphthalen-2-yl-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene-11,17-diamine?
11-N,17-N-bis(4-tert-butylphenyl)-11-N,17-N-dinaphthalen-2-yl-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene-11,17-diamine has a molecular weight of 855.09 g/mol, XLogP of 18.48, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-N,17-N-bis(4-tert-butylphenyl)-11-N,17-N-dinaphthalen-2-yl-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene-11,17-diamine is sourced from PubChem (CID 138651102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).