N-[2-[4-(1-adamantyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-1-yl)-2',7'-di(propan-2-yl)-9,9'-spirobi[fluorene]-2-amine;N-[4-(2-cyclohexylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-2-methyl-9,9'-spirobi[fluorene]-2'-amine;N-(9,9-dimethylfluoren-3-yl)-2',7'-diethyl-N-[4-(2-methylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine

C184H159N3 — CID 159674590

IUPACN-[2-[4-(1-adamantyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-1-yl)-2',7'-di(propan-2-yl)-9,9'-spirobi[fluorene]-2-amine;N-[4-(2-cyclohexylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-2-methyl-9,9'-spirobi[fluorene]-2'-amine;N-(9,9-dimethylfluoren-3-yl)-2',7'-diethyl-N-[4-(2-methylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
SMILESCC(C)c1ccc2c(c1)C1(c3ccccc3-c3ccc(N(c4ccccc4-c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)c4cccc5c4C(C)(C)c4ccccc4-5)cc31)c1cc(C(C)C)ccc1-2.CCc1ccc2c(c1)C1(c3ccccc3-c3ccc(N(c4ccc(-c5ccccc5C)cc4)c4ccc5c(c4)-c4ccccc4C5(C)C)cc31)c1cc(CC)ccc1-2.Cc1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4C4CCCCC4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21
InChIInChI=1S/C68H63N.C59H49N.C57H47N/c1-41(2)47-24-29-54-55-30-25-48(42(3)4)36-61(55)68(60(54)35-47)59-19-11-8-15-52(59)56-31-28-50(37-62(56)68)69(64-21-13-17-57-53-16-7-10-18-58(53)66(5,6)65(57)64)63-20-12-9-14-51(63)46-22-26-49(27-23-46)67-38-43-32-44(39-67)34-45(33-43)40-67;1-38-25-32-50-47-20-10-13-23-53(47)59(56(50)35-38)54-24-14-11-21-48(54)51-34-31-43(37-57(51)59)60(42-30-33-49-46-19-9-12-22-52(46)58(2,3)55(49)36-42)41-28-26-40(27-29-41)45-18-8-7-17-44(45)39-15-5-4-6-16-39;1-6-37-20-28-46-47-29-21-38(7-2)33-54(47)57(53(46)32-37)52-19-13-11-16-44(52)48-30-26-42(35-55(48)57)58(40-24-22-39(23-25-40)43-15-9-8-14-36(43)3)41-27-31-51-49(34-41)45-17-10-12-18-50(45)56(51,4)5/h7-31,35-37,41-45H,32-34,38-40H2,1-6H3;7-14,17-37,39H,4-6,15-16H2,1-3H3;8-35H,6-7H2,1-5H3
InChIKeyMUKYFKMRZAPAKR-UHFFFAOYSA-N
MW2412.32 g/mol
LogP48.92
Rot. Bonds18

About N-[2-[4-(1-adamantyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-1-yl)-2',7'-di(propan-2-yl)-9,9'-spirobi[fluorene]-2-amine;N-[4-(2-cyclohexylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-2-methyl-9,9'-spirobi[fluorene]-2'-amine;N-(9,9-dimethylfluoren-3-yl)-2',7'-diethyl-N-[4-(2-methylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine

N-[2-[4-(1-adamantyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-1-yl)-2',7'-di(propan-2-yl)-9,9'-spirobi[fluorene]-2-amine;N-[4-(2-cyclohexylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-2-methyl-9,9'-spirobi[fluorene]-2'-amine;N-(9,9-dimethylfluoren-3-yl)-2',7'-diethyl-N-[4-(2-methylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine (PubChem CID 159674590) has the molecular formula C184H159N3 and a molecular weight of 2412.32 g/mol. Its IUPAC name is N-[2-[4-(1-adamantyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-1-yl)-2',7'-di(propan-2-yl)-9,9'-spirobi[fluorene]-2-amine;N-[4-(2-cyclohexylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-2-methyl-9,9'-spirobi[fluorene]-2'-amine;N-(9,9-dimethylfluoren-3-yl)-2',7'-diethyl-N-[4-(2-methylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

Compound NameN-[2-[4-(1-adamantyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-1-yl)-2',7'-di(propan-2-yl)-9,9'-spirobi[fluorene]-2-amine;N-[4-(2-cyclohexylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-2-methyl-9,9'-spirobi[fluorene]-2'-amine;N-(9,9-dimethylfluoren-3-yl)-2',7'-diethyl-N-[4-(2-methylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
PubChem CID159674590
Molecular FormulaC184H159N3
Molecular Weight2412.32 g/mol
Exact Mass2410.25
IUPAC NameN-[2-[4-(1-adamantyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-1-yl)-2',7'-di(propan-2-yl)-9,9'-spirobi[fluorene]-2-amine;N-[4-(2-cyclohexylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-2-methyl-9,9'-spirobi[fluorene]-2'-amine;N-(9,9-dimethylfluoren-3-yl)-2',7'-diethyl-N-[4-(2-methylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
SMILESCC(C)c1ccc2c(c1)C1(c3ccccc3-c3ccc(N(c4ccccc4-c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)c4cccc5c4C(C)(C)c4ccccc4-5)cc31)c1cc(C(C)C)ccc1-2.CCc1ccc2c(c1)C1(c3ccccc3-c3ccc(N(c4ccc(-c5ccccc5C)cc4)c4ccc5c(c4)-c4ccccc4C5(C)C)cc31)c1cc(CC)ccc1-2.Cc1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4C4CCCCC4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21
InChIInChI=1S/C68H63N.C59H49N.C57H47N/c1-41(2)47-24-29-54-55-30-25-48(42(3)4)36-61(55)68(60(54)35-47)59-19-11-8-15-52(59)56-31-28-50(37-62(56)68)69(64-21-13-17-57-53-16-7-10-18-58(53)66(5,6)65(57)64)63-20-12-9-14-51(63)46-22-26-49(27-23-46)67-38-43-32-44(39-67)34-45(33-43)40-67;1-38-25-32-50-47-20-10-13-23-53(47)59(56(50)35-38)54-24-14-11-21-48(54)51-34-31-43(37-57(51)59)60(42-30-33-49-46-19-9-12-22-52(46)58(2,3)55(49)36-42)41-28-26-40(27-29-41)45-18-8-7-17-44(45)39-15-5-4-6-16-39;1-6-37-20-28-46-47-29-21-38(7-2)33-54(47)57(53(46)32-37)52-19-13-11-16-44(52)48-30-26-42(35-55(48)57)58(40-24-22-39(23-25-40)43-15-9-8-14-36(43)3)41-27-31-51-49(34-41)45-17-10-12-18-50(45)56(51,4)5/h7-31,35-37,41-45H,32-34,38-40H2,1-6H3;7-14,17-37,39H,4-6,15-16H2,1-3H3;8-35H,6-7H2,1-5H3
InChIKeyMUKYFKMRZAPAKR-UHFFFAOYSA-N
XLogP48.92
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms187
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002412.32
LogP ≤ 548.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[2-[4-(1-adamantyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-1-yl)-2',7'-di(propan-2-yl)-9,9'-spirobi[fluorene]-2-amine;N-[4-(2-cyclohexylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-2-methyl-9,9'-spirobi[fluorene]-2'-amine;N-(9,9-dimethylfluoren-3-yl)-2',7'-diethyl-N-[4-(2-methylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine with MolForge

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Related Compounds

N-[4-(1-adamantyl)phenyl]-N-(9,9-dimethylfluoren-3-yl)-9,9'-spirobi[fluorene]-2-amine;N-[2-[4-(1-adamantyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine;N-[3-[4-(1-adamantyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine;N-[4-[4-(1-adamantyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-1-yl)-9,9'-spirobi[fluorene]-2-amine;N-[4-[4-(1-adamantyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine
CID 158067288
N-[2-[4-(1-adamantyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-3-yl)-9,9'-spirobi[fluorene]-2-amine
CID 156556632
N-[4-(1-adamantyl)phenyl]-N-(4-cyclohexylphenyl)-6-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-2-amine
CID 171439076
N-[4-(2-cyclohexylphenyl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 156557066
N-[2-[4-(1-deuteriocyclohexyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-3-yl)-2',7'-dimethyl-9,9'-spirobi[fluorene]-2-amine
CID 159813005
N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
CID 130197569
N-[3-[4-(1-deuteriocyclobutyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-2',7'-dimethyl-9,9'-spirobi[fluorene]-2-amine;N-[2-[4-(1-deuteriocycloprop-2-en-1-yl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-2',7'-dimethyl-9,9'-spirobi[fluorene]-2-amine;N-[4-[2-(1-deuteriocycloprop-2-en-1-yl)phenyl]phenyl]-N-(9,9-dimethylfluoren-3-yl)-2',7'-dimethyl-9,9'-spirobi[fluorene]-2-amine
CID 159720354
N-[4-[4-[bis(7-methyl-9,9-diphenylfluoren-2-yl)amino]-2-methylphenyl]phenyl]-N-(9,9-dimethylfluoren-1-yl)-9,9'-spirobi[fluorene]-4-amine
CID 177287745
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-(2-cyclobutylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine
CID 177124785
7-cyclohexyl-N-[4-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
CID 164970193
N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(3,4-diphenylphenyl)-9,9-dimethylfluoren-2-amine
CID 130203842

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(1-adamantyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-1-yl)-2',7'-di(propan-2-yl)-9,9'-spirobi[fluorene]-2-amine;N-[4-(2-cyclohexylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-2-methyl-9,9'-spirobi[fluorene]-2'-amine;N-(9,9-dimethylfluoren-3-yl)-2',7'-diethyl-N-[4-(2-methylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine?
The IUPAC name of N-[2-[4-(1-adamantyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-1-yl)-2',7'-di(propan-2-yl)-9,9'-spirobi[fluorene]-2-amine;N-[4-(2-cyclohexylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-2-methyl-9,9'-spirobi[fluorene]-2'-amine;N-(9,9-dimethylfluoren-3-yl)-2',7'-diethyl-N-[4-(2-methylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine (CID 159674590) is N-[2-[4-(1-adamantyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-1-yl)-2',7'-di(propan-2-yl)-9,9'-spirobi[fluorene]-2-amine;N-[4-(2-cyclohexylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-2-methyl-9,9'-spirobi[fluorene]-2'-amine;N-(9,9-dimethylfluoren-3-yl)-2',7'-diethyl-N-[4-(2-methylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine.
What is the SMILES notation for N-[2-[4-(1-adamantyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-1-yl)-2',7'-di(propan-2-yl)-9,9'-spirobi[fluorene]-2-amine;N-[4-(2-cyclohexylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-2-methyl-9,9'-spirobi[fluorene]-2'-amine;N-(9,9-dimethylfluoren-3-yl)-2',7'-diethyl-N-[4-(2-methylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine?
The canonical SMILES for N-[2-[4-(1-adamantyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-1-yl)-2',7'-di(propan-2-yl)-9,9'-spirobi[fluorene]-2-amine;N-[4-(2-cyclohexylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-2-methyl-9,9'-spirobi[fluorene]-2'-amine;N-(9,9-dimethylfluoren-3-yl)-2',7'-diethyl-N-[4-(2-methylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine is CC(C)c1ccc2c(c1)C1(c3ccccc3-c3ccc(N(c4ccccc4-c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)c4cccc5c4C(C)(C)c4ccccc4-5)cc31)c1cc(C(C)C)ccc1-2.CCc1ccc2c(c1)C1(c3ccccc3-c3ccc(N(c4ccc(-c5ccccc5C)cc4)c4ccc5c(c4)-c4ccccc4C5(C)C)cc31)c1cc(CC)ccc1-2.Cc1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4C4CCCCC4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21.
What is the InChIKey of N-[2-[4-(1-adamantyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-1-yl)-2',7'-di(propan-2-yl)-9,9'-spirobi[fluorene]-2-amine;N-[4-(2-cyclohexylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-2-methyl-9,9'-spirobi[fluorene]-2'-amine;N-(9,9-dimethylfluoren-3-yl)-2',7'-diethyl-N-[4-(2-methylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine?
The InChIKey is MUKYFKMRZAPAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H63N.C59H49N.C57H47N/c1-41(2)47-24-29-54-55-30-25-48(42(3)4)36-61(55)68(60(54)35-47)59-19-11-8-15-52(59)56-31-28-50(37-62(56)68)69(64-21-13-17-57-53-16-7-10-18-58(53)66(5,6)65(57)64)63-20-12-9-14-51(63)46-22-26-49(27-23-46)67-38-43-32-44(39-67)34-45(33-43)40-67;1-38-25-32-50-47-20-10-13-23-53(47)59(56(50)35-38)54-24-14-11-21-48(54)51-34-31-43(37-57(51)59)60(42-30-33-49-46-19-9-12-22-52(46)58(2,3)55(49)36-42)41-28-26-40(27-29-41)45-18-8-7-17-44(45)39-15-5-4-6-16-39;1-6-37-20-28-46-47-29-21-38(7-2)33-54(47)57(53(46)32-37)52-19-13-11-16-44(52)48-30-26-42(35-55(48)57)58(40-24-22-39(23-25-40)43-15-9-8-14-36(43)3)41-27-31-51-49(34-41)45-17-10-12-18-50(45)56(51,4)5/h7-31,35-37,41-45H,32-34,38-40H2,1-6H3;7-14,17-37,39H,4-6,15-16H2,1-3H3;8-35H,6-7H2,1-5H3.
What are the key properties of N-[2-[4-(1-adamantyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-1-yl)-2',7'-di(propan-2-yl)-9,9'-spirobi[fluorene]-2-amine;N-[4-(2-cyclohexylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-2-methyl-9,9'-spirobi[fluorene]-2'-amine;N-(9,9-dimethylfluoren-3-yl)-2',7'-diethyl-N-[4-(2-methylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine?
N-[2-[4-(1-adamantyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-1-yl)-2',7'-di(propan-2-yl)-9,9'-spirobi[fluorene]-2-amine;N-[4-(2-cyclohexylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-2-methyl-9,9'-spirobi[fluorene]-2'-amine;N-(9,9-dimethylfluoren-3-yl)-2',7'-diethyl-N-[4-(2-methylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 2412.32 g/mol, XLogP of 48.92, 18 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(1-adamantyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-1-yl)-2',7'-di(propan-2-yl)-9,9'-spirobi[fluorene]-2-amine;N-[4-(2-cyclohexylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-2-methyl-9,9'-spirobi[fluorene]-2'-amine;N-(9,9-dimethylfluoren-3-yl)-2',7'-diethyl-N-[4-(2-methylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 159674590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).