N-(9,9-dimethylfluoren-1-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-3'-amine

C55H47N — CID 170143655

IUPACN-(9,9-dimethylfluoren-1-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-3'-amine
SMILESCC1(C)c2ccccc2-c2c(-c3ccccc3N(c3ccc4c(c3)-c3ccccc3C43CC4CCC3C4)c3cccc4c3C(C)(C)c3ccccc3-4)cccc21
InChIInChI=1S/C55H47N/c1-53(2)45-22-10-7-18-42(45)51-40(19-13-24-48(51)53)39-17-8-12-25-49(39)56(50-26-14-20-41-37-15-5-9-21-44(37)54(3,4)52(41)50)36-29-30-47-43(32-36)38-16-6-11-23-46(38)55(47)33-34-27-28-35(55)31-34/h5-26,29-30,32,34-35H,27-28,31,33H2,1-4H3
InChIKeyUJRZXYYFLQGTCD-UHFFFAOYSA-N
MW721.99 g/mol
LogP14.52
Rot. Bonds4

About N-(9,9-dimethylfluoren-1-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-3'-amine

N-(9,9-dimethylfluoren-1-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-3'-amine (PubChem CID 170143655) has the molecular formula C55H47N and a molecular weight of 721.99 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-1-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-3'-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-1-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-3'-amine
PubChem CID170143655
Molecular FormulaC55H47N
Molecular Weight721.99 g/mol
Exact Mass721.37
IUPAC NameN-(9,9-dimethylfluoren-1-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-3'-amine
SMILESCC1(C)c2ccccc2-c2c(-c3ccccc3N(c3ccc4c(c3)-c3ccccc3C43CC4CCC3C4)c3cccc4c3C(C)(C)c3ccccc3-4)cccc21
InChIInChI=1S/C55H47N/c1-53(2)45-22-10-7-18-42(45)51-40(19-13-24-48(51)53)39-17-8-12-25-49(39)56(50-26-14-20-41-37-15-5-9-21-44(37)54(3,4)52(41)50)36-29-30-47-43(32-36)38-16-6-11-23-46(38)55(47)33-34-27-28-35(55)31-34/h5-26,29-30,32,34-35H,27-28,31,33H2,1-4H3
InChIKeyUJRZXYYFLQGTCD-UHFFFAOYSA-N
XLogP14.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500721.99
LogP ≤ 514.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(9,9-dimethylfluoren-1-yl)-N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-3'-ylspiro[adamantane-2,9'-fluorene]-2'-amine
CID 168722400
N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine
CID 170217106
N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-2-phenyl-N-(2-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-ylphenyl)aniline
CID 170143935
N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-[2-(4-phenylphenyl)phenyl]phenyl]spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine
CID 170218290
N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-amine
CID 166508635
N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine
CID 170217152
N-[2-(4-tert-butylphenyl)phenyl]-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine
CID 170218009
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(9,9-diphenylfluoren-4-yl)spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine
CID 170215903
N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-amine
CID 166508775
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethylfluoren-3-amine
CID 170143480
3',6'-ditert-butyl-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-yl-9,9'-spirobi[fluorene]-4-amine
CID 170215931
N-(9,9-dimethylfluoren-2-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-amine
CID 170143589

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-1-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-3'-amine?
The IUPAC name of N-(9,9-dimethylfluoren-1-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-3'-amine (CID 170143655) is N-(9,9-dimethylfluoren-1-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-3'-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-1-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-3'-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-1-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-3'-amine is CC1(C)c2ccccc2-c2c(-c3ccccc3N(c3ccc4c(c3)-c3ccccc3C43CC4CCC3C4)c3cccc4c3C(C)(C)c3ccccc3-4)cccc21.
What is the InChIKey of N-(9,9-dimethylfluoren-1-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-3'-amine?
The InChIKey is UJRZXYYFLQGTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H47N/c1-53(2)45-22-10-7-18-42(45)51-40(19-13-24-48(51)53)39-17-8-12-25-49(39)56(50-26-14-20-41-37-15-5-9-21-44(37)54(3,4)52(41)50)36-29-30-47-43(32-36)38-16-6-11-23-46(38)55(47)33-34-27-28-35(55)31-34/h5-26,29-30,32,34-35H,27-28,31,33H2,1-4H3.
What are the key properties of N-(9,9-dimethylfluoren-1-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-3'-amine?
N-(9,9-dimethylfluoren-1-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-3'-amine has a molecular weight of 721.99 g/mol, XLogP of 14.52, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-1-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-3'-amine is sourced from PubChem (CID 170143655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).