2',7'-ditert-butyl-N-(9,9-dimethylfluoren-1-yl)-N-[3-(4-ethylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;2',7'-ditert-butyl-N-(9,9-dimethylfluoren-3-yl)-N-[2-(4-ethylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;2',7'-ditert-butyl-N-(9,9-dimethylfluoren-4-yl)-N-[2-(4-ethylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;2',7'-ditert-butyl-N-(9,9-dimethylfluoren-4-yl)-N-[4-(3-ethylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine

C248H228N4 — CID 158841600

IUPAC2',7'-ditert-butyl-N-(9,9-dimethylfluoren-1-yl)-N-[3-(4-ethylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;2',7'-ditert-butyl-N-(9,9-dimethylfluoren-3-yl)-N-[2-(4-ethylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;2',7'-ditert-butyl-N-(9,9-dimethylfluoren-4-yl)-N-[2-(4-ethylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;2',7'-ditert-butyl-N-(9,9-dimethylfluoren-4-yl)-N-[4-(3-ethylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
SMILESCCc1ccc(-c2cccc(N(c3ccc4c(c3)C3(c5ccccc5-4)c4cc(C(C)(C)C)ccc4-c4ccc(C(C)(C)C)cc43)c3cccc4c3C(C)(C)c3ccccc3-4)c2)cc1.CCc1ccc(-c2ccccc2N(c2ccc3c(c2)-c2ccccc2C3(C)C)c2ccc3c(c2)C2(c4ccccc4-3)c3cc(C(C)(C)C)ccc3-c3ccc(C(C)(C)C)cc32)cc1.CCc1ccc(-c2ccccc2N(c2ccc3c(c2)C2(c4ccccc4-3)c3cc(C(C)(C)C)ccc3-c3ccc(C(C)(C)C)cc32)c2cccc3c2-c2ccccc2C3(C)C)cc1.CCc1cccc(-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-4)c4cc(C(C)(C)C)ccc4-c4ccc(C(C)(C)C)cc43)c3cccc4c3-c3ccccc3C4(C)C)cc2)c1
InChIInChI=1S/4C62H57N/c1-10-39-26-28-40(29-27-39)44-18-13-16-24-56(44)63(57-25-17-23-52-58(57)49-20-12-14-21-50(49)61(52,8)9)43-32-35-48-45-19-11-15-22-51(45)62(55(48)38-43)53-36-41(59(2,3)4)30-33-46(53)47-34-31-42(37-54(47)62)60(5,6)7;1-10-39-23-25-40(26-24-39)45-17-13-16-22-58(45)63(43-30-34-53-51(37-43)47-19-11-14-20-52(47)61(53,8)9)44-29-33-50-46-18-12-15-21-54(46)62(57(50)38-44)55-35-41(59(2,3)4)27-31-48(55)49-32-28-42(36-56(49)62)60(5,6)7;1-10-39-17-15-18-41(35-39)40-25-29-44(30-26-40)63(57-24-16-23-53-58(57)50-20-12-13-21-51(50)61(53,8)9)45-31-34-49-46-19-11-14-22-52(46)62(56(49)38-45)54-36-42(59(2,3)4)27-32-47(54)48-33-28-43(37-55(48)62)60(5,6)7;1-10-39-25-27-40(28-26-39)41-17-15-18-44(35-41)63(57-24-16-21-51-47-20-11-13-22-52(47)61(8,9)58(51)57)45-31-34-50-46-19-12-14-23-53(46)62(56(50)38-45)54-36-42(59(2,3)4)29-32-48(54)49-33-30-43(37-55(49)62)60(5,6)7/h4*11-38H,10H2,1-9H3
InChIKeyIYHUAPTYHNNAFS-UHFFFAOYSA-N
MW3264.58 g/mol
LogP66.52
Rot. Bonds20

About 2',7'-ditert-butyl-N-(9,9-dimethylfluoren-1-yl)-N-[3-(4-ethylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;2',7'-ditert-butyl-N-(9,9-dimethylfluoren-3-yl)-N-[2-(4-ethylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;2',7'-ditert-butyl-N-(9,9-dimethylfluoren-4-yl)-N-[2-(4-ethylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;2',7'-ditert-butyl-N-(9,9-dimethylfluoren-4-yl)-N-[4-(3-ethylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine

2',7'-ditert-butyl-N-(9,9-dimethylfluoren-1-yl)-N-[3-(4-ethylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;2',7'-ditert-butyl-N-(9,9-dimethylfluoren-3-yl)-N-[2-(4-ethylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;2',7'-ditert-butyl-N-(9,9-dimethylfluoren-4-yl)-N-[2-(4-ethylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;2',7'-ditert-butyl-N-(9,9-dimethylfluoren-4-yl)-N-[4-(3-ethylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine (PubChem CID 158841600) has the molecular formula C248H228N4 and a molecular weight of 3264.58 g/mol. Its IUPAC name is 2',7'-ditert-butyl-N-(9,9-dimethylfluoren-1-yl)-N-[3-(4-ethylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;2',7'-ditert-butyl-N-(9,9-dimethylfluoren-3-yl)-N-[2-(4-ethylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;2',7'-ditert-butyl-N-(9,9-dimethylfluoren-4-yl)-N-[2-(4-ethylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;2',7'-ditert-butyl-N-(9,9-dimethylfluoren-4-yl)-N-[4-(3-ethylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

Compound Name2',7'-ditert-butyl-N-(9,9-dimethylfluoren-1-yl)-N-[3-(4-ethylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;2',7'-ditert-butyl-N-(9,9-dimethylfluoren-3-yl)-N-[2-(4-ethylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;2',7'-ditert-butyl-N-(9,9-dimethylfluoren-4-yl)-N-[2-(4-ethylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;2',7'-ditert-butyl-N-(9,9-dimethylfluoren-4-yl)-N-[4-(3-ethylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
PubChem CID158841600
Molecular FormulaC248H228N4
Molecular Weight3264.58 g/mol
Exact Mass3261.80
IUPAC Name2',7'-ditert-butyl-N-(9,9-dimethylfluoren-1-yl)-N-[3-(4-ethylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;2',7'-ditert-butyl-N-(9,9-dimethylfluoren-3-yl)-N-[2-(4-ethylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;2',7'-ditert-butyl-N-(9,9-dimethylfluoren-4-yl)-N-[2-(4-ethylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;2',7'-ditert-butyl-N-(9,9-dimethylfluoren-4-yl)-N-[4-(3-ethylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
SMILESCCc1ccc(-c2cccc(N(c3ccc4c(c3)C3(c5ccccc5-4)c4cc(C(C)(C)C)ccc4-c4ccc(C(C)(C)C)cc43)c3cccc4c3C(C)(C)c3ccccc3-4)c2)cc1.CCc1ccc(-c2ccccc2N(c2ccc3c(c2)-c2ccccc2C3(C)C)c2ccc3c(c2)C2(c4ccccc4-3)c3cc(C(C)(C)C)ccc3-c3ccc(C(C)(C)C)cc32)cc1.CCc1ccc(-c2ccccc2N(c2ccc3c(c2)C2(c4ccccc4-3)c3cc(C(C)(C)C)ccc3-c3ccc(C(C)(C)C)cc32)c2cccc3c2-c2ccccc2C3(C)C)cc1.CCc1cccc(-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-4)c4cc(C(C)(C)C)ccc4-c4ccc(C(C)(C)C)cc43)c3cccc4c3-c3ccccc3C4(C)C)cc2)c1
InChIInChI=1S/4C62H57N/c1-10-39-26-28-40(29-27-39)44-18-13-16-24-56(44)63(57-25-17-23-52-58(57)49-20-12-14-21-50(49)61(52,8)9)43-32-35-48-45-19-11-15-22-51(45)62(55(48)38-43)53-36-41(59(2,3)4)30-33-46(53)47-34-31-42(37-54(47)62)60(5,6)7;1-10-39-23-25-40(26-24-39)45-17-13-16-22-58(45)63(43-30-34-53-51(37-43)47-19-11-14-20-52(47)61(53,8)9)44-29-33-50-46-18-12-15-21-54(46)62(57(50)38-44)55-35-41(59(2,3)4)27-31-48(55)49-32-28-42(36-56(49)62)60(5,6)7;1-10-39-17-15-18-41(35-39)40-25-29-44(30-26-40)63(57-24-16-23-53-58(57)50-20-12-13-21-51(50)61(53,8)9)45-31-34-49-46-19-11-14-22-52(46)62(56(49)38-45)54-36-42(59(2,3)4)27-32-47(54)48-33-28-43(37-55(48)62)60(5,6)7;1-10-39-25-27-40(28-26-39)41-17-15-18-44(35-41)63(57-24-16-21-51-47-20-11-13-22-52(47)61(8,9)58(51)57)45-31-34-50-46-19-12-14-23-53(46)62(56(50)38-45)54-36-42(59(2,3)4)29-32-48(54)49-33-30-43(37-55(49)62)60(5,6)7/h4*11-38H,10H2,1-9H3
InChIKeyIYHUAPTYHNNAFS-UHFFFAOYSA-N
XLogP66.52
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms252
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003264.58
LogP ≤ 566.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2',7'-ditert-butyl-N-(9,9-dimethylfluoren-1-yl)-N-[3-(4-ethylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;2',7'-ditert-butyl-N-(9,9-dimethylfluoren-3-yl)-N-[2-(4-ethylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;2',7'-ditert-butyl-N-(9,9-dimethylfluoren-4-yl)-N-[2-(4-ethylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;2',7'-ditert-butyl-N-(9,9-dimethylfluoren-4-yl)-N-[4-(3-ethylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2',7'-ditert-butyl-N-(9,9-dimethylfluoren-1-yl)-N-[3-(4-ethylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;2',7'-ditert-butyl-N-(9,9-dimethylfluoren-3-yl)-N-[2-(4-ethylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;2',7'-ditert-butyl-N-(9,9-dimethylfluoren-4-yl)-N-[2-(4-ethylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;2',7'-ditert-butyl-N-(9,9-dimethylfluoren-4-yl)-N-[4-(3-ethylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine?
The IUPAC name of 2',7'-ditert-butyl-N-(9,9-dimethylfluoren-1-yl)-N-[3-(4-ethylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;2',7'-ditert-butyl-N-(9,9-dimethylfluoren-3-yl)-N-[2-(4-ethylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;2',7'-ditert-butyl-N-(9,9-dimethylfluoren-4-yl)-N-[2-(4-ethylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;2',7'-ditert-butyl-N-(9,9-dimethylfluoren-4-yl)-N-[4-(3-ethylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine (CID 158841600) is 2',7'-ditert-butyl-N-(9,9-dimethylfluoren-1-yl)-N-[3-(4-ethylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;2',7'-ditert-butyl-N-(9,9-dimethylfluoren-3-yl)-N-[2-(4-ethylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;2',7'-ditert-butyl-N-(9,9-dimethylfluoren-4-yl)-N-[2-(4-ethylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;2',7'-ditert-butyl-N-(9,9-dimethylfluoren-4-yl)-N-[4-(3-ethylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine.
What is the SMILES notation for 2',7'-ditert-butyl-N-(9,9-dimethylfluoren-1-yl)-N-[3-(4-ethylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;2',7'-ditert-butyl-N-(9,9-dimethylfluoren-3-yl)-N-[2-(4-ethylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;2',7'-ditert-butyl-N-(9,9-dimethylfluoren-4-yl)-N-[2-(4-ethylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;2',7'-ditert-butyl-N-(9,9-dimethylfluoren-4-yl)-N-[4-(3-ethylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine?
The canonical SMILES for 2',7'-ditert-butyl-N-(9,9-dimethylfluoren-1-yl)-N-[3-(4-ethylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;2',7'-ditert-butyl-N-(9,9-dimethylfluoren-3-yl)-N-[2-(4-ethylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;2',7'-ditert-butyl-N-(9,9-dimethylfluoren-4-yl)-N-[2-(4-ethylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;2',7'-ditert-butyl-N-(9,9-dimethylfluoren-4-yl)-N-[4-(3-ethylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine is CCc1ccc(-c2cccc(N(c3ccc4c(c3)C3(c5ccccc5-4)c4cc(C(C)(C)C)ccc4-c4ccc(C(C)(C)C)cc43)c3cccc4c3C(C)(C)c3ccccc3-4)c2)cc1.CCc1ccc(-c2ccccc2N(c2ccc3c(c2)-c2ccccc2C3(C)C)c2ccc3c(c2)C2(c4ccccc4-3)c3cc(C(C)(C)C)ccc3-c3ccc(C(C)(C)C)cc32)cc1.CCc1ccc(-c2ccccc2N(c2ccc3c(c2)C2(c4ccccc4-3)c3cc(C(C)(C)C)ccc3-c3ccc(C(C)(C)C)cc32)c2cccc3c2-c2ccccc2C3(C)C)cc1.CCc1cccc(-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-4)c4cc(C(C)(C)C)ccc4-c4ccc(C(C)(C)C)cc43)c3cccc4c3-c3ccccc3C4(C)C)cc2)c1.
What is the InChIKey of 2',7'-ditert-butyl-N-(9,9-dimethylfluoren-1-yl)-N-[3-(4-ethylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;2',7'-ditert-butyl-N-(9,9-dimethylfluoren-3-yl)-N-[2-(4-ethylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;2',7'-ditert-butyl-N-(9,9-dimethylfluoren-4-yl)-N-[2-(4-ethylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;2',7'-ditert-butyl-N-(9,9-dimethylfluoren-4-yl)-N-[4-(3-ethylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine?
The InChIKey is IYHUAPTYHNNAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/4C62H57N/c1-10-39-26-28-40(29-27-39)44-18-13-16-24-56(44)63(57-25-17-23-52-58(57)49-20-12-14-21-50(49)61(52,8)9)43-32-35-48-45-19-11-15-22-51(45)62(55(48)38-43)53-36-41(59(2,3)4)30-33-46(53)47-34-31-42(37-54(47)62)60(5,6)7;1-10-39-23-25-40(26-24-39)45-17-13-16-22-58(45)63(43-30-34-53-51(37-43)47-19-11-14-20-52(47)61(53,8)9)44-29-33-50-46-18-12-15-21-54(46)62(57(50)38-44)55-35-41(59(2,3)4)27-31-48(55)49-32-28-42(36-56(49)62)60(5,6)7;1-10-39-17-15-18-41(35-39)40-25-29-44(30-26-40)63(57-24-16-23-53-58(57)50-20-12-13-21-51(50)61(53,8)9)45-31-34-49-46-19-11-14-22-52(46)62(56(49)38-45)54-36-42(59(2,3)4)27-32-47(54)48-33-28-43(37-55(48)62)60(5,6)7;1-10-39-25-27-40(28-26-39)41-17-15-18-44(35-41)63(57-24-16-21-51-47-20-11-13-22-52(47)61(8,9)58(51)57)45-31-34-50-46-19-12-14-23-53(46)62(56(50)38-45)54-36-42(59(2,3)4)29-32-48(54)49-33-30-43(37-55(49)62)60(5,6)7/h4*11-38H,10H2,1-9H3.
What are the key properties of 2',7'-ditert-butyl-N-(9,9-dimethylfluoren-1-yl)-N-[3-(4-ethylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;2',7'-ditert-butyl-N-(9,9-dimethylfluoren-3-yl)-N-[2-(4-ethylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;2',7'-ditert-butyl-N-(9,9-dimethylfluoren-4-yl)-N-[2-(4-ethylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;2',7'-ditert-butyl-N-(9,9-dimethylfluoren-4-yl)-N-[4-(3-ethylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine?
2',7'-ditert-butyl-N-(9,9-dimethylfluoren-1-yl)-N-[3-(4-ethylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;2',7'-ditert-butyl-N-(9,9-dimethylfluoren-3-yl)-N-[2-(4-ethylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;2',7'-ditert-butyl-N-(9,9-dimethylfluoren-4-yl)-N-[2-(4-ethylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;2',7'-ditert-butyl-N-(9,9-dimethylfluoren-4-yl)-N-[4-(3-ethylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 3264.58 g/mol, XLogP of 66.52, 20 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2',7'-ditert-butyl-N-(9,9-dimethylfluoren-1-yl)-N-[3-(4-ethylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;2',7'-ditert-butyl-N-(9,9-dimethylfluoren-3-yl)-N-[2-(4-ethylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;2',7'-ditert-butyl-N-(9,9-dimethylfluoren-4-yl)-N-[2-(4-ethylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;2',7'-ditert-butyl-N-(9,9-dimethylfluoren-4-yl)-N-[4-(3-ethylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 158841600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).