14-N,14-N,24-N,24-N-tetrakis(4-tert-butylphenyl)spiro[12,26-dioxanonacyclo[18.15.0.02,18.04,16.05,13.06,11.022,34.025,33.027,32]pentatriaconta-1(20),2(18),3,5(13),6,8,10,14,16,21,23,25(33),27,29,31,34-hexadecaene-19,9'-fluorene]-14,24-diamine

C85H74N2O2 — CID 145353106

IUPAC14-N,14-N,24-N,24-N-tetrakis(4-tert-butylphenyl)spiro[12,26-dioxanonacyclo[18.15.0.02,18.04,16.05,13.06,11.022,34.025,33.027,32]pentatriaconta-1(20),2(18),3,5(13),6,8,10,14,16,21,23,25(33),27,29,31,34-hexadecaene-19,9'-fluorene]-14,24-diamine
SMILESCC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2cc3cc4c(cc3c3c2oc2ccccc23)-c2cc3c(cc2C42c4ccccc4-c4ccccc42)cc(N(c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)c2oc4ccccc4c23)cc1
InChIInChI=1S/C85H74N2O2/c1-81(2,3)53-29-37-57(38-30-53)86(58-39-31-54(32-40-58)82(4,5)6)73-47-51-45-71-67(49-65(51)77-63-23-15-19-27-75(63)88-79(73)77)68-50-66-52(46-72(68)85(71)69-25-17-13-21-61(69)62-22-14-18-26-70(62)85)48-74(80-78(66)64-24-16-20-28-76(64)89-80)87(59-41-33-55(34-42-59)83(7,8)9)60-43-35-56(36-44-60)84(10,11)12/h13-50H,1-12H3
InChIKeyLCZZZEOTJBBJHY-UHFFFAOYSA-N
MW1155.54 g/mol
LogP24.26
Rot. Bonds6

About 14-N,14-N,24-N,24-N-tetrakis(4-tert-butylphenyl)spiro[12,26-dioxanonacyclo[18.15.0.02,18.04,16.05,13.06,11.022,34.025,33.027,32]pentatriaconta-1(20),2(18),3,5(13),6,8,10,14,16,21,23,25(33),27,29,31,34-hexadecaene-19,9'-fluorene]-14,24-diamine

14-N,14-N,24-N,24-N-tetrakis(4-tert-butylphenyl)spiro[12,26-dioxanonacyclo[18.15.0.02,18.04,16.05,13.06,11.022,34.025,33.027,32]pentatriaconta-1(20),2(18),3,5(13),6,8,10,14,16,21,23,25(33),27,29,31,34-hexadecaene-19,9'-fluorene]-14,24-diamine (PubChem CID 145353106) has the molecular formula C85H74N2O2 and a molecular weight of 1155.54 g/mol. Its IUPAC name is 14-N,14-N,24-N,24-N-tetrakis(4-tert-butylphenyl)spiro[12,26-dioxanonacyclo[18.15.0.02,18.04,16.05,13.06,11.022,34.025,33.027,32]pentatriaconta-1(20),2(18),3,5(13),6,8,10,14,16,21,23,25(33),27,29,31,34-hexadecaene-19,9'-fluorene]-14,24-diamine.

Molecular Properties

Compound Name14-N,14-N,24-N,24-N-tetrakis(4-tert-butylphenyl)spiro[12,26-dioxanonacyclo[18.15.0.02,18.04,16.05,13.06,11.022,34.025,33.027,32]pentatriaconta-1(20),2(18),3,5(13),6,8,10,14,16,21,23,25(33),27,29,31,34-hexadecaene-19,9'-fluorene]-14,24-diamine
PubChem CID145353106
Molecular FormulaC85H74N2O2
Molecular Weight1155.54 g/mol
Exact Mass1154.58
IUPAC Name14-N,14-N,24-N,24-N-tetrakis(4-tert-butylphenyl)spiro[12,26-dioxanonacyclo[18.15.0.02,18.04,16.05,13.06,11.022,34.025,33.027,32]pentatriaconta-1(20),2(18),3,5(13),6,8,10,14,16,21,23,25(33),27,29,31,34-hexadecaene-19,9'-fluorene]-14,24-diamine
SMILESCC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2cc3cc4c(cc3c3c2oc2ccccc23)-c2cc3c(cc2C42c4ccccc4-c4ccccc42)cc(N(c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)c2oc4ccccc4c23)cc1
InChIInChI=1S/C85H74N2O2/c1-81(2,3)53-29-37-57(38-30-53)86(58-39-31-54(32-40-58)82(4,5)6)73-47-51-45-71-67(49-65(51)77-63-23-15-19-27-75(63)88-79(73)77)68-50-66-52(46-72(68)85(71)69-25-17-13-21-61(69)62-22-14-18-26-70(62)85)48-74(80-78(66)64-24-16-20-28-76(64)89-80)87(59-41-33-55(34-42-59)83(7,8)9)60-43-35-56(36-44-60)84(10,11)12/h13-50H,1-12H3
InChIKeyLCZZZEOTJBBJHY-UHFFFAOYSA-N
XLogP24.26
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms89
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001155.54
LogP ≤ 524.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 14-N,14-N,24-N,24-N-tetrakis(4-tert-butylphenyl)spiro[12,26-dioxanonacyclo[18.15.0.02,18.04,16.05,13.06,11.022,34.025,33.027,32]pentatriaconta-1(20),2(18),3,5(13),6,8,10,14,16,21,23,25(33),27,29,31,34-hexadecaene-19,9'-fluorene]-14,24-diamine with MolForge

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Related Compounds

N-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-4-yl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-b][1]benzofuran-6-amine
CID 171444535
16-N,16-N,24-N,24-N-tetraphenylspiro[7,26-dioxanonacyclo[18.15.0.02,18.03,15.06,14.08,13.022,34.025,33.027,32]pentatriaconta-1(20),2,4,6(14),8,10,12,15,17,21,23,25(33),27,29,31,34-hexadecaene-19,9'-fluorene]-16,24-diamine
CID 140962574
N-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-4-yl)-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-6-amine
CID 171444554
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
N-(4-tert-butylphenyl)-N-(3'-dibenzofuran-4-yl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran-4-amine
CID 163536549
9-N,9-N,15-N,15-N-tetrakis(4-tert-butylphenyl)spiro[23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene-12,9'-fluorene]-9,15-diamine
CID 118688084
11-N,17-N-bis(4-tert-butylphenyl)-11-N,17-N-bis[4-(2-fluorophenyl)phenyl]spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15(20),16,18-nonaene-14,9'-fluorene]-11,17-diamine
CID 126632935
N-(4-tert-butylphenyl)-N-(2-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-3-amine
CID 121444454
16-N,16-N,22-N,22-N-tetrakis(4-tert-butylphenyl)spiro[5,31-dioxanonacyclo[18.15.0.02,18.03,15.04,12.06,11.023,35.024,32.025,30]pentatriaconta-1(35),2,4(12),6,8,10,13,15,17,20,22,24(32),25,27,29,33-hexadecaene-19,9'-fluorene]-16,22-diamine
CID 137493403
5-N',9-N'-bis(4-tert-butylphenyl)-9-N'-(3,5-dimethylphenyl)-5-N'-(4-methylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine
CID 165053097
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
18-N-(4-tert-butylphenyl)-12-N,18-N-bis(2-fluorophenyl)-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 162712360

Frequently Asked Questions

What is the IUPAC name of 14-N,14-N,24-N,24-N-tetrakis(4-tert-butylphenyl)spiro[12,26-dioxanonacyclo[18.15.0.02,18.04,16.05,13.06,11.022,34.025,33.027,32]pentatriaconta-1(20),2(18),3,5(13),6,8,10,14,16,21,23,25(33),27,29,31,34-hexadecaene-19,9'-fluorene]-14,24-diamine?
The IUPAC name of 14-N,14-N,24-N,24-N-tetrakis(4-tert-butylphenyl)spiro[12,26-dioxanonacyclo[18.15.0.02,18.04,16.05,13.06,11.022,34.025,33.027,32]pentatriaconta-1(20),2(18),3,5(13),6,8,10,14,16,21,23,25(33),27,29,31,34-hexadecaene-19,9'-fluorene]-14,24-diamine (CID 145353106) is 14-N,14-N,24-N,24-N-tetrakis(4-tert-butylphenyl)spiro[12,26-dioxanonacyclo[18.15.0.02,18.04,16.05,13.06,11.022,34.025,33.027,32]pentatriaconta-1(20),2(18),3,5(13),6,8,10,14,16,21,23,25(33),27,29,31,34-hexadecaene-19,9'-fluorene]-14,24-diamine.
What is the SMILES notation for 14-N,14-N,24-N,24-N-tetrakis(4-tert-butylphenyl)spiro[12,26-dioxanonacyclo[18.15.0.02,18.04,16.05,13.06,11.022,34.025,33.027,32]pentatriaconta-1(20),2(18),3,5(13),6,8,10,14,16,21,23,25(33),27,29,31,34-hexadecaene-19,9'-fluorene]-14,24-diamine?
The canonical SMILES for 14-N,14-N,24-N,24-N-tetrakis(4-tert-butylphenyl)spiro[12,26-dioxanonacyclo[18.15.0.02,18.04,16.05,13.06,11.022,34.025,33.027,32]pentatriaconta-1(20),2(18),3,5(13),6,8,10,14,16,21,23,25(33),27,29,31,34-hexadecaene-19,9'-fluorene]-14,24-diamine is CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2cc3cc4c(cc3c3c2oc2ccccc23)-c2cc3c(cc2C42c4ccccc4-c4ccccc42)cc(N(c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)c2oc4ccccc4c23)cc1.
What is the InChIKey of 14-N,14-N,24-N,24-N-tetrakis(4-tert-butylphenyl)spiro[12,26-dioxanonacyclo[18.15.0.02,18.04,16.05,13.06,11.022,34.025,33.027,32]pentatriaconta-1(20),2(18),3,5(13),6,8,10,14,16,21,23,25(33),27,29,31,34-hexadecaene-19,9'-fluorene]-14,24-diamine?
The InChIKey is LCZZZEOTJBBJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C85H74N2O2/c1-81(2,3)53-29-37-57(38-30-53)86(58-39-31-54(32-40-58)82(4,5)6)73-47-51-45-71-67(49-65(51)77-63-23-15-19-27-75(63)88-79(73)77)68-50-66-52(46-72(68)85(71)69-25-17-13-21-61(69)62-22-14-18-26-70(62)85)48-74(80-78(66)64-24-16-20-28-76(64)89-80)87(59-41-33-55(34-42-59)83(7,8)9)60-43-35-56(36-44-60)84(10,11)12/h13-50H,1-12H3.
What are the key properties of 14-N,14-N,24-N,24-N-tetrakis(4-tert-butylphenyl)spiro[12,26-dioxanonacyclo[18.15.0.02,18.04,16.05,13.06,11.022,34.025,33.027,32]pentatriaconta-1(20),2(18),3,5(13),6,8,10,14,16,21,23,25(33),27,29,31,34-hexadecaene-19,9'-fluorene]-14,24-diamine?
14-N,14-N,24-N,24-N-tetrakis(4-tert-butylphenyl)spiro[12,26-dioxanonacyclo[18.15.0.02,18.04,16.05,13.06,11.022,34.025,33.027,32]pentatriaconta-1(20),2(18),3,5(13),6,8,10,14,16,21,23,25(33),27,29,31,34-hexadecaene-19,9'-fluorene]-14,24-diamine has a molecular weight of 1155.54 g/mol, XLogP of 24.26, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 14-N,14-N,24-N,24-N-tetrakis(4-tert-butylphenyl)spiro[12,26-dioxanonacyclo[18.15.0.02,18.04,16.05,13.06,11.022,34.025,33.027,32]pentatriaconta-1(20),2(18),3,5(13),6,8,10,14,16,21,23,25(33),27,29,31,34-hexadecaene-19,9'-fluorene]-14,24-diamine is sourced from PubChem (CID 145353106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).