N-(9,9-dimethylfluoren-4-yl)-N-(4-pentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2(7),3,5,9,11,13,15,17,19,22,24-dodecaenyl)-9,9'-spirobi[fluorene]-2-amine

C66H47N — CID 146370165

IUPACN-(9,9-dimethylfluoren-4-yl)-N-(4-pentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2(7),3,5,9,11,13,15,17,19,22,24-dodecaenyl)-9,9'-spirobi[fluorene]-2-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc4c(c3)-c3ccccc3Cc3ccccc3-c3ccccc3C4)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cccc21
InChIInChI=1S/C66H47N/c1-65(2)57-28-13-12-27-55(57)64-61(65)32-17-33-63(64)67(46-35-34-45-39-43-19-4-7-22-49(43)48-21-6-3-18-42(48)38-44-20-5-8-23-50(44)56(45)40-46)47-36-37-54-53-26-11-16-31-60(53)66(62(54)41-47)58-29-14-9-24-51(58)52-25-10-15-30-59(52)66/h3-37,40-41H,38-39H2,1-2H3
InChIKeyZFEUMXXXGIYHTO-UHFFFAOYSA-N
MW854.11 g/mol
LogP16.64
Rot. Bonds3

About N-(9,9-dimethylfluoren-4-yl)-N-(4-pentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2(7),3,5,9,11,13,15,17,19,22,24-dodecaenyl)-9,9'-spirobi[fluorene]-2-amine

N-(9,9-dimethylfluoren-4-yl)-N-(4-pentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2(7),3,5,9,11,13,15,17,19,22,24-dodecaenyl)-9,9'-spirobi[fluorene]-2-amine (PubChem CID 146370165) has the molecular formula C66H47N and a molecular weight of 854.11 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-4-yl)-N-(4-pentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2(7),3,5,9,11,13,15,17,19,22,24-dodecaenyl)-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-4-yl)-N-(4-pentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2(7),3,5,9,11,13,15,17,19,22,24-dodecaenyl)-9,9'-spirobi[fluorene]-2-amine
PubChem CID146370165
Molecular FormulaC66H47N
Molecular Weight854.11 g/mol
Exact Mass853.37
IUPAC NameN-(9,9-dimethylfluoren-4-yl)-N-(4-pentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2(7),3,5,9,11,13,15,17,19,22,24-dodecaenyl)-9,9'-spirobi[fluorene]-2-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc4c(c3)-c3ccccc3Cc3ccccc3-c3ccccc3C4)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cccc21
InChIInChI=1S/C66H47N/c1-65(2)57-28-13-12-27-55(57)64-61(65)32-17-33-63(64)67(46-35-34-45-39-43-19-4-7-22-49(43)48-21-6-3-18-42(48)38-44-20-5-8-23-50(44)56(45)40-46)47-36-37-54-53-26-11-16-31-60(53)66(62(54)41-47)58-29-14-9-24-51(58)52-25-10-15-30-59(52)66/h3-37,40-41H,38-39H2,1-2H3
InChIKeyZFEUMXXXGIYHTO-UHFFFAOYSA-N
XLogP16.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500854.11
LogP ≤ 516.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-(9,9-dimethylfluoren-4-yl)-N-(4-pentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2(7),3,5,9,11,13,15,17,19,22,24-dodecaenyl)-9,9'-spirobi[fluorene]-2-amine with MolForge

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Related Compounds

2-N,5-N-bis(9,9-dimethylfluoren-2-yl)-2-N,5-N-diphenyl-9,9'-spirobi[fluorene]-2,5-diamine
CID 137448787
N-(9,9-dimethylfluoren-2-yl)-N-[3-phenyl-4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 129267147
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-4-yl)-9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-amine
CID 142480849
N-(9,9-dimethylfluoren-4-yl)-2',7'-dimethyl-N-phenyl-9,9'-spirobi[fluorene]-3-amine
CID 126538707
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-4-yl)-9,9'-spirobi[fluorene]-3-amine
CID 121423487
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-3-yl)-9,9'-spirobi[fluorene]-4-amine
CID 121423710
N-(9,9-dimethylfluoren-2-yl)-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 170216886
2',7'-ditert-butyl-N-(9,9-dimethylfluoren-4-yl)-N-(3-methylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 156556780
N-(9,9-dimethylfluoren-3-yl)-N-(9,9'-spirobi[fluorene]-4-yl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-amine
CID 135229631
N-(9,9-dimethylfluoren-2-yl)-N-spiro[pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine
CID 130462890
N-(9,9-dimethylfluoren-4-yl)-9,9-diphenyl-N-(2-phenylphenyl)fluoren-2-amine
CID 121285745
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 168788412

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-4-yl)-N-(4-pentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2(7),3,5,9,11,13,15,17,19,22,24-dodecaenyl)-9,9'-spirobi[fluorene]-2-amine?
The IUPAC name of N-(9,9-dimethylfluoren-4-yl)-N-(4-pentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2(7),3,5,9,11,13,15,17,19,22,24-dodecaenyl)-9,9'-spirobi[fluorene]-2-amine (CID 146370165) is N-(9,9-dimethylfluoren-4-yl)-N-(4-pentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2(7),3,5,9,11,13,15,17,19,22,24-dodecaenyl)-9,9'-spirobi[fluorene]-2-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-4-yl)-N-(4-pentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2(7),3,5,9,11,13,15,17,19,22,24-dodecaenyl)-9,9'-spirobi[fluorene]-2-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-4-yl)-N-(4-pentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2(7),3,5,9,11,13,15,17,19,22,24-dodecaenyl)-9,9'-spirobi[fluorene]-2-amine is CC1(C)c2ccccc2-c2c(N(c3ccc4c(c3)-c3ccccc3Cc3ccccc3-c3ccccc3C4)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cccc21.
What is the InChIKey of N-(9,9-dimethylfluoren-4-yl)-N-(4-pentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2(7),3,5,9,11,13,15,17,19,22,24-dodecaenyl)-9,9'-spirobi[fluorene]-2-amine?
The InChIKey is ZFEUMXXXGIYHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H47N/c1-65(2)57-28-13-12-27-55(57)64-61(65)32-17-33-63(64)67(46-35-34-45-39-43-19-4-7-22-49(43)48-21-6-3-18-42(48)38-44-20-5-8-23-50(44)56(45)40-46)47-36-37-54-53-26-11-16-31-60(53)66(62(54)41-47)58-29-14-9-24-51(58)52-25-10-15-30-59(52)66/h3-37,40-41H,38-39H2,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-4-yl)-N-(4-pentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2(7),3,5,9,11,13,15,17,19,22,24-dodecaenyl)-9,9'-spirobi[fluorene]-2-amine?
N-(9,9-dimethylfluoren-4-yl)-N-(4-pentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2(7),3,5,9,11,13,15,17,19,22,24-dodecaenyl)-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 854.11 g/mol, XLogP of 16.64, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-4-yl)-N-(4-pentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2(7),3,5,9,11,13,15,17,19,22,24-dodecaenyl)-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 146370165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).