2',7'-ditert-butyl-N-(3,5-diethylphenyl)-N-(9,9-dimethylfluoren-1-yl)-9,9'-spirobi[fluorene]-2-amine;2',7'-ditert-butyl-N-(9,9-dimethylfluoren-3-yl)-N-(4-ethylphenyl)-9,9'-spirobi[fluorene]-2-amine;2',7'-ditert-butyl-N-(9,9-dimethylfluoren-4-yl)-N-(2-ethylphenyl)-9,9'-spirobi[fluorene]-2-amine

C170H163N3 — CID 158619855

IUPAC2',7'-ditert-butyl-N-(3,5-diethylphenyl)-N-(9,9-dimethylfluoren-1-yl)-9,9'-spirobi[fluorene]-2-amine;2',7'-ditert-butyl-N-(9,9-dimethylfluoren-3-yl)-N-(4-ethylphenyl)-9,9'-spirobi[fluorene]-2-amine;2',7'-ditert-butyl-N-(9,9-dimethylfluoren-4-yl)-N-(2-ethylphenyl)-9,9'-spirobi[fluorene]-2-amine
SMILESCCc1cc(CC)cc(N(c2ccc3c(c2)C2(c4ccccc4-3)c3cc(C(C)(C)C)ccc3-c3ccc(C(C)(C)C)cc32)c2cccc3c2C(C)(C)c2ccccc2-3)c1.CCc1ccc(N(c2ccc3c(c2)-c2ccccc2C3(C)C)c2ccc3c(c2)C2(c4ccccc4-3)c3cc(C(C)(C)C)ccc3-c3ccc(C(C)(C)C)cc32)cc1.CCc1ccccc1N(c1ccc2c(c1)C1(c3ccccc3-2)c2cc(C(C)(C)C)ccc2-c2ccc(C(C)(C)C)cc21)c1cccc2c1-c1ccccc1C2(C)C
InChIInChI=1S/C58H57N.2C56H53N/c1-11-36-30-37(12-2)32-41(31-36)59(53-23-17-20-47-43-19-13-15-21-48(43)57(9,10)54(47)53)40-26-29-46-42-18-14-16-22-49(42)58(52(46)35-40)50-33-38(55(3,4)5)24-27-44(50)45-28-25-39(34-51(45)58)56(6,7)8;1-10-35-18-11-16-24-50(35)57(51-25-17-23-46-52(51)43-20-13-14-21-44(43)55(46,8)9)38-28-31-42-39-19-12-15-22-45(39)56(49(42)34-38)47-32-36(53(2,3)4)26-29-40(47)41-30-27-37(33-48(41)56)54(5,6)7;1-10-35-19-23-38(24-20-35)57(39-26-30-48-46(33-39)42-16-11-13-17-47(42)55(48,8)9)40-25-29-45-41-15-12-14-18-49(41)56(52(45)34-40)50-31-36(53(2,3)4)21-27-43(50)44-28-22-37(32-51(44)56)54(5,6)7/h13-35H,11-12H2,1-10H3;2*11-34H,10H2,1-9H3
InChIKeyHXVZFKPTHZDSCH-UHFFFAOYSA-N
MW2248.19 g/mol
LogP45.45
Rot. Bonds13

About 2',7'-ditert-butyl-N-(3,5-diethylphenyl)-N-(9,9-dimethylfluoren-1-yl)-9,9'-spirobi[fluorene]-2-amine;2',7'-ditert-butyl-N-(9,9-dimethylfluoren-3-yl)-N-(4-ethylphenyl)-9,9'-spirobi[fluorene]-2-amine;2',7'-ditert-butyl-N-(9,9-dimethylfluoren-4-yl)-N-(2-ethylphenyl)-9,9'-spirobi[fluorene]-2-amine

2',7'-ditert-butyl-N-(3,5-diethylphenyl)-N-(9,9-dimethylfluoren-1-yl)-9,9'-spirobi[fluorene]-2-amine;2',7'-ditert-butyl-N-(9,9-dimethylfluoren-3-yl)-N-(4-ethylphenyl)-9,9'-spirobi[fluorene]-2-amine;2',7'-ditert-butyl-N-(9,9-dimethylfluoren-4-yl)-N-(2-ethylphenyl)-9,9'-spirobi[fluorene]-2-amine (PubChem CID 158619855) has the molecular formula C170H163N3 and a molecular weight of 2248.19 g/mol. Its IUPAC name is 2',7'-ditert-butyl-N-(3,5-diethylphenyl)-N-(9,9-dimethylfluoren-1-yl)-9,9'-spirobi[fluorene]-2-amine;2',7'-ditert-butyl-N-(9,9-dimethylfluoren-3-yl)-N-(4-ethylphenyl)-9,9'-spirobi[fluorene]-2-amine;2',7'-ditert-butyl-N-(9,9-dimethylfluoren-4-yl)-N-(2-ethylphenyl)-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

Compound Name2',7'-ditert-butyl-N-(3,5-diethylphenyl)-N-(9,9-dimethylfluoren-1-yl)-9,9'-spirobi[fluorene]-2-amine;2',7'-ditert-butyl-N-(9,9-dimethylfluoren-3-yl)-N-(4-ethylphenyl)-9,9'-spirobi[fluorene]-2-amine;2',7'-ditert-butyl-N-(9,9-dimethylfluoren-4-yl)-N-(2-ethylphenyl)-9,9'-spirobi[fluorene]-2-amine
PubChem CID158619855
Molecular FormulaC170H163N3
Molecular Weight2248.19 g/mol
Exact Mass2246.28
IUPAC Name2',7'-ditert-butyl-N-(3,5-diethylphenyl)-N-(9,9-dimethylfluoren-1-yl)-9,9'-spirobi[fluorene]-2-amine;2',7'-ditert-butyl-N-(9,9-dimethylfluoren-3-yl)-N-(4-ethylphenyl)-9,9'-spirobi[fluorene]-2-amine;2',7'-ditert-butyl-N-(9,9-dimethylfluoren-4-yl)-N-(2-ethylphenyl)-9,9'-spirobi[fluorene]-2-amine
SMILESCCc1cc(CC)cc(N(c2ccc3c(c2)C2(c4ccccc4-3)c3cc(C(C)(C)C)ccc3-c3ccc(C(C)(C)C)cc32)c2cccc3c2C(C)(C)c2ccccc2-3)c1.CCc1ccc(N(c2ccc3c(c2)-c2ccccc2C3(C)C)c2ccc3c(c2)C2(c4ccccc4-3)c3cc(C(C)(C)C)ccc3-c3ccc(C(C)(C)C)cc32)cc1.CCc1ccccc1N(c1ccc2c(c1)C1(c3ccccc3-2)c2cc(C(C)(C)C)ccc2-c2ccc(C(C)(C)C)cc21)c1cccc2c1-c1ccccc1C2(C)C
InChIInChI=1S/C58H57N.2C56H53N/c1-11-36-30-37(12-2)32-41(31-36)59(53-23-17-20-47-43-19-13-15-21-48(43)57(9,10)54(47)53)40-26-29-46-42-18-14-16-22-49(42)58(52(46)35-40)50-33-38(55(3,4)5)24-27-44(50)45-28-25-39(34-51(45)58)56(6,7)8;1-10-35-18-11-16-24-50(35)57(51-25-17-23-46-52(51)43-20-13-14-21-44(43)55(46,8)9)38-28-31-42-39-19-12-15-22-45(39)56(49(42)34-38)47-32-36(53(2,3)4)26-29-40(47)41-30-27-37(33-48(41)56)54(5,6)7;1-10-35-19-23-38(24-20-35)57(39-26-30-48-46(33-39)42-16-11-13-17-47(42)55(48,8)9)40-25-29-45-41-15-12-14-18-49(41)56(52(45)34-40)50-31-36(53(2,3)4)21-27-43(50)44-28-22-37(32-51(44)56)54(5,6)7/h13-35H,11-12H2,1-10H3;2*11-34H,10H2,1-9H3
InChIKeyHXVZFKPTHZDSCH-UHFFFAOYSA-N
XLogP45.45
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms173
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002248.19
LogP ≤ 545.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2',7'-ditert-butyl-N-(3,5-diethylphenyl)-N-(9,9-dimethylfluoren-1-yl)-9,9'-spirobi[fluorene]-2-amine;2',7'-ditert-butyl-N-(9,9-dimethylfluoren-3-yl)-N-(4-ethylphenyl)-9,9'-spirobi[fluorene]-2-amine;2',7'-ditert-butyl-N-(9,9-dimethylfluoren-4-yl)-N-(2-ethylphenyl)-9,9'-spirobi[fluorene]-2-amine with MolForge

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Related Compounds

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
N-[2-(7-tert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-N-(9,9-dimethylfluoren-1-yl)-9,9'-spirobi[fluorene]-2-amine
CID 170144171
2',7'-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-[3-ethyl-4-(2-ethylphenyl)phenyl]-9,9'-spirobi[fluorene]-1-amine
CID 146542310
2',7'-ditert-butyl-N,N-bis(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-1-amine
CID 142508986
2',7'-ditert-butyl-N-(9,9-dimethylfluoren-4-yl)-N-(3-methylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 156556780
2',7'-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 153307449
N-[2-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-yl)phenyl]-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-3-amine
CID 170142627
N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine;N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine;N-(9,9-dimethylfluoren-1-yl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine;N-(9,9-dimethylfluoren-1-yl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine;N-(9,9-dimethylfluoren-1-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]fluoren-2-amine
CID 159131149
3,6-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine
CID 170215490
2',7'-ditert-butyl-N-(9,9-dimethylfluoren-1-yl)-N-[3-(4-methylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 156573360
3'-(3,5-ditert-butylphenyl)-N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)-9,9'-spirobi[fluorene]-4-amine
CID 176871110
N-[4-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-1-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 142508836

Frequently Asked Questions

What is the IUPAC name of 2',7'-ditert-butyl-N-(3,5-diethylphenyl)-N-(9,9-dimethylfluoren-1-yl)-9,9'-spirobi[fluorene]-2-amine;2',7'-ditert-butyl-N-(9,9-dimethylfluoren-3-yl)-N-(4-ethylphenyl)-9,9'-spirobi[fluorene]-2-amine;2',7'-ditert-butyl-N-(9,9-dimethylfluoren-4-yl)-N-(2-ethylphenyl)-9,9'-spirobi[fluorene]-2-amine?
The IUPAC name of 2',7'-ditert-butyl-N-(3,5-diethylphenyl)-N-(9,9-dimethylfluoren-1-yl)-9,9'-spirobi[fluorene]-2-amine;2',7'-ditert-butyl-N-(9,9-dimethylfluoren-3-yl)-N-(4-ethylphenyl)-9,9'-spirobi[fluorene]-2-amine;2',7'-ditert-butyl-N-(9,9-dimethylfluoren-4-yl)-N-(2-ethylphenyl)-9,9'-spirobi[fluorene]-2-amine (CID 158619855) is 2',7'-ditert-butyl-N-(3,5-diethylphenyl)-N-(9,9-dimethylfluoren-1-yl)-9,9'-spirobi[fluorene]-2-amine;2',7'-ditert-butyl-N-(9,9-dimethylfluoren-3-yl)-N-(4-ethylphenyl)-9,9'-spirobi[fluorene]-2-amine;2',7'-ditert-butyl-N-(9,9-dimethylfluoren-4-yl)-N-(2-ethylphenyl)-9,9'-spirobi[fluorene]-2-amine.
What is the SMILES notation for 2',7'-ditert-butyl-N-(3,5-diethylphenyl)-N-(9,9-dimethylfluoren-1-yl)-9,9'-spirobi[fluorene]-2-amine;2',7'-ditert-butyl-N-(9,9-dimethylfluoren-3-yl)-N-(4-ethylphenyl)-9,9'-spirobi[fluorene]-2-amine;2',7'-ditert-butyl-N-(9,9-dimethylfluoren-4-yl)-N-(2-ethylphenyl)-9,9'-spirobi[fluorene]-2-amine?
The canonical SMILES for 2',7'-ditert-butyl-N-(3,5-diethylphenyl)-N-(9,9-dimethylfluoren-1-yl)-9,9'-spirobi[fluorene]-2-amine;2',7'-ditert-butyl-N-(9,9-dimethylfluoren-3-yl)-N-(4-ethylphenyl)-9,9'-spirobi[fluorene]-2-amine;2',7'-ditert-butyl-N-(9,9-dimethylfluoren-4-yl)-N-(2-ethylphenyl)-9,9'-spirobi[fluorene]-2-amine is CCc1cc(CC)cc(N(c2ccc3c(c2)C2(c4ccccc4-3)c3cc(C(C)(C)C)ccc3-c3ccc(C(C)(C)C)cc32)c2cccc3c2C(C)(C)c2ccccc2-3)c1.CCc1ccc(N(c2ccc3c(c2)-c2ccccc2C3(C)C)c2ccc3c(c2)C2(c4ccccc4-3)c3cc(C(C)(C)C)ccc3-c3ccc(C(C)(C)C)cc32)cc1.CCc1ccccc1N(c1ccc2c(c1)C1(c3ccccc3-2)c2cc(C(C)(C)C)ccc2-c2ccc(C(C)(C)C)cc21)c1cccc2c1-c1ccccc1C2(C)C.
What is the InChIKey of 2',7'-ditert-butyl-N-(3,5-diethylphenyl)-N-(9,9-dimethylfluoren-1-yl)-9,9'-spirobi[fluorene]-2-amine;2',7'-ditert-butyl-N-(9,9-dimethylfluoren-3-yl)-N-(4-ethylphenyl)-9,9'-spirobi[fluorene]-2-amine;2',7'-ditert-butyl-N-(9,9-dimethylfluoren-4-yl)-N-(2-ethylphenyl)-9,9'-spirobi[fluorene]-2-amine?
The InChIKey is HXVZFKPTHZDSCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H57N.2C56H53N/c1-11-36-30-37(12-2)32-41(31-36)59(53-23-17-20-47-43-19-13-15-21-48(43)57(9,10)54(47)53)40-26-29-46-42-18-14-16-22-49(42)58(52(46)35-40)50-33-38(55(3,4)5)24-27-44(50)45-28-25-39(34-51(45)58)56(6,7)8;1-10-35-18-11-16-24-50(35)57(51-25-17-23-46-52(51)43-20-13-14-21-44(43)55(46,8)9)38-28-31-42-39-19-12-15-22-45(39)56(49(42)34-38)47-32-36(53(2,3)4)26-29-40(47)41-30-27-37(33-48(41)56)54(5,6)7;1-10-35-19-23-38(24-20-35)57(39-26-30-48-46(33-39)42-16-11-13-17-47(42)55(48,8)9)40-25-29-45-41-15-12-14-18-49(41)56(52(45)34-40)50-31-36(53(2,3)4)21-27-43(50)44-28-22-37(32-51(44)56)54(5,6)7/h13-35H,11-12H2,1-10H3;2*11-34H,10H2,1-9H3.
What are the key properties of 2',7'-ditert-butyl-N-(3,5-diethylphenyl)-N-(9,9-dimethylfluoren-1-yl)-9,9'-spirobi[fluorene]-2-amine;2',7'-ditert-butyl-N-(9,9-dimethylfluoren-3-yl)-N-(4-ethylphenyl)-9,9'-spirobi[fluorene]-2-amine;2',7'-ditert-butyl-N-(9,9-dimethylfluoren-4-yl)-N-(2-ethylphenyl)-9,9'-spirobi[fluorene]-2-amine?
2',7'-ditert-butyl-N-(3,5-diethylphenyl)-N-(9,9-dimethylfluoren-1-yl)-9,9'-spirobi[fluorene]-2-amine;2',7'-ditert-butyl-N-(9,9-dimethylfluoren-3-yl)-N-(4-ethylphenyl)-9,9'-spirobi[fluorene]-2-amine;2',7'-ditert-butyl-N-(9,9-dimethylfluoren-4-yl)-N-(2-ethylphenyl)-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 2248.19 g/mol, XLogP of 45.45, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2',7'-ditert-butyl-N-(3,5-diethylphenyl)-N-(9,9-dimethylfluoren-1-yl)-9,9'-spirobi[fluorene]-2-amine;2',7'-ditert-butyl-N-(9,9-dimethylfluoren-3-yl)-N-(4-ethylphenyl)-9,9'-spirobi[fluorene]-2-amine;2',7'-ditert-butyl-N-(9,9-dimethylfluoren-4-yl)-N-(2-ethylphenyl)-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 158619855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).