5-N,9-N-bis(4-tert-butylphenyl)-5',6',7',8'-tetradeuterio-3'-methyl-5-N,9-N-bis(4-phenylphenyl)spiro[fluoreno[4,3-b][1]benzofuran-7,9'-indeno[2,1-b]pyridine]-5,9-diamine;12-N,12-N,18-N-tris(4-tert-butylphenyl)-18-N-phenylspiro[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

C148H123N5O3 — CID 158633808

IUPAC5-N,9-N-bis(4-tert-butylphenyl)-5',6',7',8'-tetradeuterio-3'-methyl-5-N,9-N-bis(4-phenylphenyl)spiro[fluoreno[4,3-b][1]benzofuran-7,9'-indeno[2,1-b]pyridine]-5,9-diamine;12-N,12-N,18-N-tris(4-tert-butylphenyl)-18-N-phenylspiro[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
SMILESCC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2cc3c(c4c2oc2ccccc24)-c2c(cc(N(c4ccccc4)c4ccc(C(C)(C)C)cc4)c4c2oc2ccccc24)C32c3ccccc3-c3ccccc32)cc1.[2H]c1c([2H])c([2H])c2c(c1[2H])-c1cc(C)cnc1C21c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(C(C)(C)C)cc3)ccc2-c2c1cc(N(c1ccc(-c3ccccc3)cc1)c1ccc(C(C)(C)C)cc1)c1c2oc2ccccc21
InChIInChI=1S/C75H61N3O.C73H62N2O2/c1-48-44-63-60-22-14-16-24-64(60)75(72(63)76-47-48)65-45-59(77(56-38-30-53(31-39-56)73(2,3)4)55-34-26-51(27-35-55)49-18-10-8-11-19-49)42-43-61(65)69-66(75)46-67(70-62-23-15-17-25-68(62)79-71(69)70)78(58-40-32-54(33-41-58)74(5,6)7)57-36-28-52(29-37-57)50-20-12-9-13-21-50;1-70(2,3)45-31-37-49(38-32-45)74(48-21-11-10-12-22-48)60-43-59-67(69-64(60)54-25-15-19-29-62(54)77-69)66-58(73(59)56-27-17-13-23-52(56)53-24-14-18-28-57(53)73)44-61(68-65(66)55-26-16-20-30-63(55)76-68)75(50-39-33-46(34-40-50)71(4,5)6)51-41-35-47(36-42-51)72(7,8)9/h8-47H,1-7H3;10-44H,1-9H3/i14D,16D,22D,24D;
InChIKeyHZMZSNJWBFQUID-BZWNNSEMSA-N
MW2023.67 g/mol
LogP41.16
Rot. Bonds14

About 5-N,9-N-bis(4-tert-butylphenyl)-5',6',7',8'-tetradeuterio-3'-methyl-5-N,9-N-bis(4-phenylphenyl)spiro[fluoreno[4,3-b][1]benzofuran-7,9'-indeno[2,1-b]pyridine]-5,9-diamine;12-N,12-N,18-N-tris(4-tert-butylphenyl)-18-N-phenylspiro[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

5-N,9-N-bis(4-tert-butylphenyl)-5',6',7',8'-tetradeuterio-3'-methyl-5-N,9-N-bis(4-phenylphenyl)spiro[fluoreno[4,3-b][1]benzofuran-7,9'-indeno[2,1-b]pyridine]-5,9-diamine;12-N,12-N,18-N-tris(4-tert-butylphenyl)-18-N-phenylspiro[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 (PubChem CID 158633808) has the molecular formula C148H123N5O3 and a molecular weight of 2023.67 g/mol. Its IUPAC name is 5-N,9-N-bis(4-tert-butylphenyl)-5',6',7',8'-tetradeuterio-3'-methyl-5-N,9-N-bis(4-phenylphenyl)spiro[fluoreno[4,3-b][1]benzofuran-7,9'-indeno[2,1-b]pyridine]-5,9-diamine;12-N,12-N,18-N-tris(4-tert-butylphenyl)-18-N-phenylspiro[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.

Molecular Properties

Compound Name5-N,9-N-bis(4-tert-butylphenyl)-5',6',7',8'-tetradeuterio-3'-methyl-5-N,9-N-bis(4-phenylphenyl)spiro[fluoreno[4,3-b][1]benzofuran-7,9'-indeno[2,1-b]pyridine]-5,9-diamine;12-N,12-N,18-N-tris(4-tert-butylphenyl)-18-N-phenylspiro[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
PubChem CID158633808
Molecular FormulaC148H123N5O3
Molecular Weight2023.67 g/mol
Exact Mass2021.99
IUPAC Name5-N,9-N-bis(4-tert-butylphenyl)-5',6',7',8'-tetradeuterio-3'-methyl-5-N,9-N-bis(4-phenylphenyl)spiro[fluoreno[4,3-b][1]benzofuran-7,9'-indeno[2,1-b]pyridine]-5,9-diamine;12-N,12-N,18-N-tris(4-tert-butylphenyl)-18-N-phenylspiro[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
SMILESCC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2cc3c(c4c2oc2ccccc24)-c2c(cc(N(c4ccccc4)c4ccc(C(C)(C)C)cc4)c4c2oc2ccccc24)C32c3ccccc3-c3ccccc32)cc1.[2H]c1c([2H])c([2H])c2c(c1[2H])-c1cc(C)cnc1C21c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(C(C)(C)C)cc3)ccc2-c2c1cc(N(c1ccc(-c3ccccc3)cc1)c1ccc(C(C)(C)C)cc1)c1c2oc2ccccc21
InChIInChI=1S/C75H61N3O.C73H62N2O2/c1-48-44-63-60-22-14-16-24-64(60)75(72(63)76-47-48)65-45-59(77(56-38-30-53(31-39-56)73(2,3)4)55-34-26-51(27-35-55)49-18-10-8-11-19-49)42-43-61(65)69-66(75)46-67(70-62-23-15-17-25-68(62)79-71(69)70)78(58-40-32-54(33-41-58)74(5,6)7)57-36-28-52(29-37-57)50-20-12-9-13-21-50;1-70(2,3)45-31-37-49(38-32-45)74(48-21-11-10-12-22-48)60-43-59-67(69-64(60)54-25-15-19-29-62(54)77-69)66-58(73(59)56-27-17-13-23-52(56)53-24-14-18-28-57(53)73)44-61(68-65(66)55-26-16-20-30-63(55)76-68)75(50-39-33-46(34-40-50)71(4,5)6)51-41-35-47(36-42-51)72(7,8)9/h8-47H,1-7H3;10-44H,1-9H3/i14D,16D,22D,24D;
InChIKeyHZMZSNJWBFQUID-BZWNNSEMSA-N
XLogP41.16
TPSA65.27 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms156
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002023.67
LogP ≤ 541.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-N,9-N-bis(4-tert-butylphenyl)-5',6',7',8'-tetradeuterio-3'-methyl-5-N,9-N-bis(4-phenylphenyl)spiro[fluoreno[4,3-b][1]benzofuran-7,9'-indeno[2,1-b]pyridine]-5,9-diamine;12-N,12-N,18-N-tris(4-tert-butylphenyl)-18-N-phenylspiro[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 with MolForge

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Related Compounds

12-N,18-N-bis(4-tert-butylphenyl)-3'-methyl-12-N,18-N-bis(4-naphthalen-2-ylphenyl)spiro[4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-15,9'-indeno[2,1-b]pyridine]-12,18-diamine;5-N,9-N-bis(4-tert-butylphenyl)-3'-methyl-5-N,9-N-bis(4-phenylphenyl)spiro[fluoreno[4,3-b][1]benzofuran-7,9'-indeno[2,1-b]pyridine]-5,9-diamine
CID 158172755
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
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
5-N',9-N'-bis(4-tert-butylphenyl)-9-N'-(3-dibenzofuran-4-yl-5-methyl-2-pyridinyl)-5-N'-(3-dibenzofuran-4-yl-2-pyridinyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine
CID 126632930
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
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,N-bis(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5'-amine
CID 129130268
N-(4-tert-butylphenyl)-N-(2,4-diphenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5'-amine
CID 129130259
N-(4-tert-butylphenyl)-N-(4-phenylphenyl)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]-15-amine
CID 129130281
5-N',9-N'-bis(4-tert-butylphenyl)-2,7-bis[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-5-N',9-N'-bis(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine;methane
CID 161250975
5-N',9-N'-bis(4-tert-butylphenyl)-5-N'-(4-phenylcyclohexa-1,5-dien-1-yl)-9-N'-(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine
CID 126632927
5-N,9-N-bis(4-tert-butylphenyl)-3'-methyl-5-N,9-N-bis(4-phenylphenyl)spiro[4a,12a-dihydrofluoreno[4,3-b][1]benzofuran-7,9'-indeno[2,1-b]pyridine]-5,9-diamine
CID 168728813

Frequently Asked Questions

What is the IUPAC name of 5-N,9-N-bis(4-tert-butylphenyl)-5',6',7',8'-tetradeuterio-3'-methyl-5-N,9-N-bis(4-phenylphenyl)spiro[fluoreno[4,3-b][1]benzofuran-7,9'-indeno[2,1-b]pyridine]-5,9-diamine;12-N,12-N,18-N-tris(4-tert-butylphenyl)-18-N-phenylspiro[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?
The IUPAC name of 5-N,9-N-bis(4-tert-butylphenyl)-5',6',7',8'-tetradeuterio-3'-methyl-5-N,9-N-bis(4-phenylphenyl)spiro[fluoreno[4,3-b][1]benzofuran-7,9'-indeno[2,1-b]pyridine]-5,9-diamine;12-N,12-N,18-N-tris(4-tert-butylphenyl)-18-N-phenylspiro[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 158633808) is 5-N,9-N-bis(4-tert-butylphenyl)-5',6',7',8'-tetradeuterio-3'-methyl-5-N,9-N-bis(4-phenylphenyl)spiro[fluoreno[4,3-b][1]benzofuran-7,9'-indeno[2,1-b]pyridine]-5,9-diamine;12-N,12-N,18-N-tris(4-tert-butylphenyl)-18-N-phenylspiro[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.
What is the SMILES notation for 5-N,9-N-bis(4-tert-butylphenyl)-5',6',7',8'-tetradeuterio-3'-methyl-5-N,9-N-bis(4-phenylphenyl)spiro[fluoreno[4,3-b][1]benzofuran-7,9'-indeno[2,1-b]pyridine]-5,9-diamine;12-N,12-N,18-N-tris(4-tert-butylphenyl)-18-N-phenylspiro[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?
The canonical SMILES for 5-N,9-N-bis(4-tert-butylphenyl)-5',6',7',8'-tetradeuterio-3'-methyl-5-N,9-N-bis(4-phenylphenyl)spiro[fluoreno[4,3-b][1]benzofuran-7,9'-indeno[2,1-b]pyridine]-5,9-diamine;12-N,12-N,18-N-tris(4-tert-butylphenyl)-18-N-phenylspiro[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 is CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2cc3c(c4c2oc2ccccc24)-c2c(cc(N(c4ccccc4)c4ccc(C(C)(C)C)cc4)c4c2oc2ccccc24)C32c3ccccc3-c3ccccc32)cc1.[2H]c1c([2H])c([2H])c2c(c1[2H])-c1cc(C)cnc1C21c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(C(C)(C)C)cc3)ccc2-c2c1cc(N(c1ccc(-c3ccccc3)cc1)c1ccc(C(C)(C)C)cc1)c1c2oc2ccccc21.
What is the InChIKey of 5-N,9-N-bis(4-tert-butylphenyl)-5',6',7',8'-tetradeuterio-3'-methyl-5-N,9-N-bis(4-phenylphenyl)spiro[fluoreno[4,3-b][1]benzofuran-7,9'-indeno[2,1-b]pyridine]-5,9-diamine;12-N,12-N,18-N-tris(4-tert-butylphenyl)-18-N-phenylspiro[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?
The InChIKey is HZMZSNJWBFQUID-BZWNNSEMSA-N. The full InChI is InChI=1S/C75H61N3O.C73H62N2O2/c1-48-44-63-60-22-14-16-24-64(60)75(72(63)76-47-48)65-45-59(77(56-38-30-53(31-39-56)73(2,3)4)55-34-26-51(27-35-55)49-18-10-8-11-19-49)42-43-61(65)69-66(75)46-67(70-62-23-15-17-25-68(62)79-71(69)70)78(58-40-32-54(33-41-58)74(5,6)7)57-36-28-52(29-37-57)50-20-12-9-13-21-50;1-70(2,3)45-31-37-49(38-32-45)74(48-21-11-10-12-22-48)60-43-59-67(69-64(60)54-25-15-19-29-62(54)77-69)66-58(73(59)56-27-17-13-23-52(56)53-24-14-18-28-57(53)73)44-61(68-65(66)55-26-16-20-30-63(55)76-68)75(50-39-33-46(34-40-50)71(4,5)6)51-41-35-47(36-42-51)72(7,8)9/h8-47H,1-7H3;10-44H,1-9H3/i14D,16D,22D,24D;.
What are the key properties of 5-N,9-N-bis(4-tert-butylphenyl)-5',6',7',8'-tetradeuterio-3'-methyl-5-N,9-N-bis(4-phenylphenyl)spiro[fluoreno[4,3-b][1]benzofuran-7,9'-indeno[2,1-b]pyridine]-5,9-diamine;12-N,12-N,18-N-tris(4-tert-butylphenyl)-18-N-phenylspiro[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?
5-N,9-N-bis(4-tert-butylphenyl)-5',6',7',8'-tetradeuterio-3'-methyl-5-N,9-N-bis(4-phenylphenyl)spiro[fluoreno[4,3-b][1]benzofuran-7,9'-indeno[2,1-b]pyridine]-5,9-diamine;12-N,12-N,18-N-tris(4-tert-butylphenyl)-18-N-phenylspiro[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 has a molecular weight of 2023.67 g/mol, XLogP of 41.16, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,9-N-bis(4-tert-butylphenyl)-5',6',7',8'-tetradeuterio-3'-methyl-5-N,9-N-bis(4-phenylphenyl)spiro[fluoreno[4,3-b][1]benzofuran-7,9'-indeno[2,1-b]pyridine]-5,9-diamine;12-N,12-N,18-N-tris(4-tert-butylphenyl)-18-N-phenylspiro[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 is sourced from PubChem (CID 158633808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).