12-N,12-N,18-N,18-N-tetrakis(4-tert-butylphenyl)-2'-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]dibenzofuran-3-yl]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,12-N,18-N,18-N-tetrakis(4-tert-butylphenyl)-6-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]spiro[10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4(9),5,7,11,13,16,18,20,22,24-dodecaene-15,9'-fluorene]-12,18-diamine

C269H262N4O5 — CID 159741907

About 12-N,12-N,18-N,18-N-tetrakis(4-tert-butylphenyl)-2'-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]dibenzofuran-3-yl]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,12-N,18-N,18-N-tetrakis(4-tert-butylphenyl)-6-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]spiro[10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4(9),5,7,11,13,16,18,20,22,24-dodecaene-15,9'-fluorene]-12,18-diamine

12-N,12-N,18-N,18-N-tetrakis(4-tert-butylphenyl)-2'-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]dibenzofuran-3-yl]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,12-N,18-N,18-N-tetrakis(4-tert-butylphenyl)-6-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]spiro[10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4(9),5,7,11,13,16,18,20,22,24-dodecaene-15,9'-fluorene]-12,18-diamine (PubChem CID 159741907) has the molecular formula C269H262N4O5 and a molecular weight of 3631.08 g/mol. Its IUPAC name is 12-N,12-N,18-N,18-N-tetrakis(4-tert-butylphenyl)-2'-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]dibenzofuran-3-yl]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,12-N,18-N,18-N-tetrakis(4-tert-butylphenyl)-6-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]spiro[10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4(9),5,7,11,13,16,18,20,22,24-dodecaene-15,9'-fluorene]-12,18-diamine.

Molecular Properties

• Compound Name: 12-N,12-N,18-N,18-N-tetrakis(4-tert-butylphenyl)-2'-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]dibenzofuran-3-yl]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,12-N,18-N,18-N-tetrakis(4-tert-butylphenyl)-6-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]spiro[10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4(9),5,7,11,13,16,18,20,22,24-dodecaene-15,9'-fluorene]-12,18-diamine
• PubChem CID: 159741907
• Molecular Formula: C269H262N4O5
• Molecular Weight: 3631.08 g/mol
• Exact Mass: 3628.04
• IUPAC Name: 12-N,12-N,18-N,18-N-tetrakis(4-tert-butylphenyl)-2'-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]dibenzofuran-3-yl]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,12-N,18-N,18-N-tetrakis(4-tert-butylphenyl)-6-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]spiro[10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4(9),5,7,11,13,16,18,20,22,24-dodecaene-15,9'-fluorene]-12,18-diamine
• SMILES: CCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)C(C)(C)c5cc(-c7ccc8oc9c(N(c%10ccc(C(C)(C)C)cc%10)c%10ccc(C(C)(C)C)cc%10)cc%10c(c9c8c7)-c7c(cc(N(c8ccc(C(C)(C)C)cc8)c8ccc(C(C)(C)C)cc8)c8c7oc7ccccc78)C%107c8ccccc8-c8ccccc87)ccc5-6)ccc3-4)cc21.CCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)oc5cc(-c7ccc8c(c7)C7(c9ccccc9-8)c8cc(N(c9ccc(C(C)(C)C)cc9)c9ccc(C(C)(C)C)cc9)c9c(oc%10ccccc%109)c8-c8c7cc(N(c7ccc(C(C)(C)C)cc7)c7ccc(C(C)(C)C)cc7)c7oc9ccccc9c87)ccc56)ccc3-4)cc21
• InChI: InChI=1S/C136H134N2O2.C133H128N2O3/c1-19-21-23-25-27-37-75-135(76-38-28-26-24-22-20-2)109-43-33-29-39-99(109)106-73-51-90(82-116(106)135)89-50-72-105-104-71-49-88(80-114(104)134(17,18)115(105)81-89)87-48-70-103-102-69-47-86(78-112(102)133(15,16)113(103)79-87)85-52-74-122-108(77-85)124-125-117(84-120(127(124)139-122)138(97-65-57-93(58-66-97)131(9,10)11)98-67-59-94(60-68-98)132(12,13)14)136(110-44-34-30-40-100(110)101-41-31-35-45-111(101)136)118-83-119(123-107-42-32-36-46-121(107)140-128(123)126(118)125)137(95-61-53-91(54-62-95)129(3,4)5)96-63-55-92(56-64-96)130(6,7)8;1-17-19-21-23-25-35-73-132(74-36-26-24-22-20-18-2)107-41-31-27-37-97(107)101-69-47-85(77-111(101)132)83-45-67-99-100-68-46-84(76-110(100)131(15,16)109(99)75-83)87-49-71-103-104-72-50-88(80-120(104)136-119(103)79-87)86-48-70-102-98-38-28-32-42-108(98)133(112(102)78-86)113-82-116(135(95-63-55-91(56-64-95)129(9,10)11)96-65-57-92(58-66-96)130(12,13)14)125-122(106-40-30-34-44-118(106)137-125)123(113)124-114(133)81-115(121-105-39-29-33-43-117(105)138-126(121)124)134(93-59-51-89(52-60-93)127(3,4)5)94-61-53-90(54-62-94)128(6,7)8/h29-36,39-74,77-84H,19-28,37-38,75-76H2,1-18H3;27-34,37-72,75-82H,17-26,35-36,73-74H2,1-16H3
• InChIKey: NCOGXPDFOFKPJE-UHFFFAOYSA-N
• XLogP: 78.27
• TPSA: 78.66 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 46
• Heavy Atoms: 278
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3631.08
LogP ≤ 5	78.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 12-N,12-N,18-N,18-N-tetrakis(4-tert-butylphenyl)-2'-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]dibenzofuran-3-yl]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,12-N,18-N,18-N-tetrakis(4-tert-butylphenyl)-6-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]spiro[10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4(9),5,7,11,13,16,18,20,22,24-dodecaene-15,9'-fluorene]-12,18-diamine?

The IUPAC name of 12-N,12-N,18-N,18-N-tetrakis(4-tert-butylphenyl)-2'-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]dibenzofuran-3-yl]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,12-N,18-N,18-N-tetrakis(4-tert-butylphenyl)-6-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]spiro[10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4(9),5,7,11,13,16,18,20,22,24-dodecaene-15,9'-fluorene]-12,18-diamine (CID 159741907) is 12-N,12-N,18-N,18-N-tetrakis(4-tert-butylphenyl)-2'-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]dibenzofuran-3-yl]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,12-N,18-N,18-N-tetrakis(4-tert-butylphenyl)-6-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]spiro[10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4(9),5,7,11,13,16,18,20,22,24-dodecaene-15,9'-fluorene]-12,18-diamine.

What is the SMILES notation for 12-N,12-N,18-N,18-N-tetrakis(4-tert-butylphenyl)-2'-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]dibenzofuran-3-yl]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,12-N,18-N,18-N-tetrakis(4-tert-butylphenyl)-6-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]spiro[10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4(9),5,7,11,13,16,18,20,22,24-dodecaene-15,9'-fluorene]-12,18-diamine?

The canonical SMILES for 12-N,12-N,18-N,18-N-tetrakis(4-tert-butylphenyl)-2'-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]dibenzofuran-3-yl]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,12-N,18-N,18-N-tetrakis(4-tert-butylphenyl)-6-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]spiro[10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4(9),5,7,11,13,16,18,20,22,24-dodecaene-15,9'-fluorene]-12,18-diamine is CCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)C(C)(C)c5cc(-c7ccc8oc9c(N(c%10ccc(C(C)(C)C)cc%10)c%10ccc(C(C)(C)C)cc%10)cc%10c(c9c8c7)-c7c(cc(N(c8ccc(C(C)(C)C)cc8)c8ccc(C(C)(C)C)cc8)c8c7oc7ccccc78)C%107c8ccccc8-c8ccccc87)ccc5-6)ccc3-4)cc21.CCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)oc5cc(-c7ccc8c(c7)C7(c9ccccc9-8)c8cc(N(c9ccc(C(C)(C)C)cc9)c9ccc(C(C)(C)C)cc9)c9c(oc%10ccccc%109)c8-c8c7cc(N(c7ccc(C(C)(C)C)cc7)c7ccc(C(C)(C)C)cc7)c7oc9ccccc9c87)ccc56)ccc3-4)cc21.

What is the InChIKey of 12-N,12-N,18-N,18-N-tetrakis(4-tert-butylphenyl)-2'-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]dibenzofuran-3-yl]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,12-N,18-N,18-N-tetrakis(4-tert-butylphenyl)-6-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]spiro[10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4(9),5,7,11,13,16,18,20,22,24-dodecaene-15,9'-fluorene]-12,18-diamine?

The InChIKey is NCOGXPDFOFKPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C136H134N2O2.C133H128N2O3/c1-19-21-23-25-27-37-75-135(76-38-28-26-24-22-20-2)109-43-33-29-39-99(109)106-73-51-90(82-116(106)135)89-50-72-105-104-71-49-88(80-114(104)134(17,18)115(105)81-89)87-48-70-103-102-69-47-86(78-112(102)133(15,16)113(103)79-87)85-52-74-122-108(77-85)124-125-117(84-120(127(124)139-122)138(97-65-57-93(58-66-97)131(9,10)11)98-67-59-94(60-68-98)132(12,13)14)136(110-44-34-30-40-100(110)101-41-31-35-45-111(101)136)118-83-119(123-107-42-32-36-46-121(107)140-128(123)126(118)125)137(95-61-53-91(54-62-95)129(3,4)5)96-63-55-92(56-64-96)130(6,7)8;1-17-19-21-23-25-35-73-132(74-36-26-24-22-20-18-2)107-41-31-27-37-97(107)101-69-47-85(77-111(101)132)83-45-67-99-100-68-46-84(76-110(100)131(15,16)109(99)75-83)87-49-71-103-104-72-50-88(80-120(104)136-119(103)79-87)86-48-70-102-98-38-28-32-42-108(98)133(112(102)78-86)113-82-116(135(95-63-55-91(56-64-95)129(9,10)11)96-65-57-92(58-66-96)130(12,13)14)125-122(106-40-30-34-44-118(106)137-125)123(113)124-114(133)81-115(121-105-39-29-33-43-117(105)138-126(121)124)134(93-59-51-89(52-60-93)127(3,4)5)94-61-53-90(54-62-94)128(6,7)8/h29-36,39-74,77-84H,19-28,37-38,75-76H2,1-18H3;27-34,37-72,75-82H,17-26,35-36,73-74H2,1-16H3.

What are the key properties of 12-N,12-N,18-N,18-N-tetrakis(4-tert-butylphenyl)-2'-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]dibenzofuran-3-yl]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,12-N,18-N,18-N-tetrakis(4-tert-butylphenyl)-6-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]spiro[10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4(9),5,7,11,13,16,18,20,22,24-dodecaene-15,9'-fluorene]-12,18-diamine?

12-N,12-N,18-N,18-N-tetrakis(4-tert-butylphenyl)-2'-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]dibenzofuran-3-yl]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,12-N,18-N,18-N-tetrakis(4-tert-butylphenyl)-6-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]spiro[10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4(9),5,7,11,13,16,18,20,22,24-dodecaene-15,9'-fluorene]-12,18-diamine has a molecular weight of 3631.08 g/mol, XLogP of 78.27, 46 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 12-N,12-N,18-N,18-N-tetrakis(4-tert-butylphenyl)-2'-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]dibenzofuran-3-yl]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,12-N,18-N,18-N-tetrakis(4-tert-butylphenyl)-6-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]spiro[10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4(9),5,7,11,13,16,18,20,22,24-dodecaene-15,9'-fluorene]-12,18-diamine is sourced from PubChem (CID 159741907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).