4-N-(9,9-dimethylfluoren-2-yl)-1-N-(9,9-diphenylfluoren-2-yl)-1-N,4-N-bis(2-phenylphenyl)-2-(9,9'-spirobi[fluorene]-2-yl)benzene-1,4-diamine

C95H66N2 — CID 121361277

IUPAC4-N-(9,9-dimethylfluoren-2-yl)-1-N-(9,9-diphenylfluoren-2-yl)-1-N,4-N-bis(2-phenylphenyl)-2-(9,9'-spirobi[fluorene]-2-yl)benzene-1,4-diamine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(N(c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c4ccccc4-c4ccccc4)c(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)c3)c3ccccc3-c3ccccc3)cc21
InChIInChI=1S/C95H66N2/c1-93(2)82-44-22-15-39-73(82)78-56-52-69(61-87(78)93)96(90-49-27-20-37-71(90)63-29-7-3-8-30-63)68-54-58-92(81(60-68)65-51-55-79-77-43-19-26-48-86(77)95(88(79)59-65)84-46-24-17-40-74(84)75-41-18-25-47-85(75)95)97(91-50-28-21-38-72(91)64-31-9-4-10-32-64)70-53-57-80-76-42-16-23-45-83(76)94(89(80)62-70,66-33-11-5-12-34-66)67-35-13-6-14-36-67/h3-62H,1-2H3
InChIKeyRYLIWRIYXIDCLI-UHFFFAOYSA-N
MW1235.59 g/mol
LogP24.64
Rot. Bonds11

About 4-N-(9,9-dimethylfluoren-2-yl)-1-N-(9,9-diphenylfluoren-2-yl)-1-N,4-N-bis(2-phenylphenyl)-2-(9,9'-spirobi[fluorene]-2-yl)benzene-1,4-diamine

4-N-(9,9-dimethylfluoren-2-yl)-1-N-(9,9-diphenylfluoren-2-yl)-1-N,4-N-bis(2-phenylphenyl)-2-(9,9'-spirobi[fluorene]-2-yl)benzene-1,4-diamine (PubChem CID 121361277) has the molecular formula C95H66N2 and a molecular weight of 1235.59 g/mol. Its IUPAC name is 4-N-(9,9-dimethylfluoren-2-yl)-1-N-(9,9-diphenylfluoren-2-yl)-1-N,4-N-bis(2-phenylphenyl)-2-(9,9'-spirobi[fluorene]-2-yl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(9,9-dimethylfluoren-2-yl)-1-N-(9,9-diphenylfluoren-2-yl)-1-N,4-N-bis(2-phenylphenyl)-2-(9,9'-spirobi[fluorene]-2-yl)benzene-1,4-diamine
PubChem CID121361277
Molecular FormulaC95H66N2
Molecular Weight1235.59 g/mol
Exact Mass1234.52
IUPAC Name4-N-(9,9-dimethylfluoren-2-yl)-1-N-(9,9-diphenylfluoren-2-yl)-1-N,4-N-bis(2-phenylphenyl)-2-(9,9'-spirobi[fluorene]-2-yl)benzene-1,4-diamine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(N(c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c4ccccc4-c4ccccc4)c(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)c3)c3ccccc3-c3ccccc3)cc21
InChIInChI=1S/C95H66N2/c1-93(2)82-44-22-15-39-73(82)78-56-52-69(61-87(78)93)96(90-49-27-20-37-71(90)63-29-7-3-8-30-63)68-54-58-92(81(60-68)65-51-55-79-77-43-19-26-48-86(77)95(88(79)59-65)84-46-24-17-40-74(84)75-41-18-25-47-85(75)95)97(91-50-28-21-38-72(91)64-31-9-4-10-32-64)70-53-57-80-76-42-16-23-45-83(76)94(89(80)62-70,66-33-11-5-12-34-66)67-35-13-6-14-36-67/h3-62H,1-2H3
InChIKeyRYLIWRIYXIDCLI-UHFFFAOYSA-N
XLogP24.64
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms97
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001235.59
LogP ≤ 524.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-N-(9,9-dimethylfluoren-2-yl)-1-N-(9,9-diphenylfluoren-2-yl)-1-N,4-N-bis(2-phenylphenyl)-2-(9,9'-spirobi[fluorene]-2-yl)benzene-1,4-diamine with MolForge

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Related Compounds

N-(9,9-diphenylfluoren-3-yl)-9,9-dimethyl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 134487972
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-2-phenylaniline
CID 146576437
N-[9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-yl]-7,9,9-triphenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 121321503
N-[9,9-dimethyl-7-[4-(4-phenylphenyl)phenyl]fluoren-2-yl]-7,9,9-triphenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 121422575
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-2-amine;N-(9,9-diphenylfluoren-3-yl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine;N-(9,9-diphenylfluoren-3-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 158470030
N-[9,9-bis(4-methylphenyl)fluoren-2-yl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
CID 118298195
N-[7-[3-[3-[2-(N-[9,9-dimethyl-7-[4-(4-phenylphenyl)phenyl]fluoren-2-yl]-2-phenylanilino)-9-phenylfluoren-9-yl]phenyl]phenyl]-9,9-diphenylfluoren-2-yl]-9,9-dimethyl-N-(2-phenylphenyl)-7-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 139469384
N-(9,9-dimethylfluoren-2-yl)-N-(2,4-diphenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 159265679
N-[2-[9,9-diphenyl-8-(4-phenylphenyl)fluoren-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 155153846
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-2'-amine;N-(2,4-diphenylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine;9,9-diphenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-2'-amine
CID 159519598
N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
CID 126548400
N-(9,9-dimethylfluoren-4-yl)-9,9-diphenyl-N-(2-phenylphenyl)fluoren-2-amine
CID 121285745

Frequently Asked Questions

What is the IUPAC name of 4-N-(9,9-dimethylfluoren-2-yl)-1-N-(9,9-diphenylfluoren-2-yl)-1-N,4-N-bis(2-phenylphenyl)-2-(9,9'-spirobi[fluorene]-2-yl)benzene-1,4-diamine?
The IUPAC name of 4-N-(9,9-dimethylfluoren-2-yl)-1-N-(9,9-diphenylfluoren-2-yl)-1-N,4-N-bis(2-phenylphenyl)-2-(9,9'-spirobi[fluorene]-2-yl)benzene-1,4-diamine (CID 121361277) is 4-N-(9,9-dimethylfluoren-2-yl)-1-N-(9,9-diphenylfluoren-2-yl)-1-N,4-N-bis(2-phenylphenyl)-2-(9,9'-spirobi[fluorene]-2-yl)benzene-1,4-diamine.
What is the SMILES notation for 4-N-(9,9-dimethylfluoren-2-yl)-1-N-(9,9-diphenylfluoren-2-yl)-1-N,4-N-bis(2-phenylphenyl)-2-(9,9'-spirobi[fluorene]-2-yl)benzene-1,4-diamine?
The canonical SMILES for 4-N-(9,9-dimethylfluoren-2-yl)-1-N-(9,9-diphenylfluoren-2-yl)-1-N,4-N-bis(2-phenylphenyl)-2-(9,9'-spirobi[fluorene]-2-yl)benzene-1,4-diamine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(N(c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c4ccccc4-c4ccccc4)c(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)c3)c3ccccc3-c3ccccc3)cc21.
What is the InChIKey of 4-N-(9,9-dimethylfluoren-2-yl)-1-N-(9,9-diphenylfluoren-2-yl)-1-N,4-N-bis(2-phenylphenyl)-2-(9,9'-spirobi[fluorene]-2-yl)benzene-1,4-diamine?
The InChIKey is RYLIWRIYXIDCLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C95H66N2/c1-93(2)82-44-22-15-39-73(82)78-56-52-69(61-87(78)93)96(90-49-27-20-37-71(90)63-29-7-3-8-30-63)68-54-58-92(81(60-68)65-51-55-79-77-43-19-26-48-86(77)95(88(79)59-65)84-46-24-17-40-74(84)75-41-18-25-47-85(75)95)97(91-50-28-21-38-72(91)64-31-9-4-10-32-64)70-53-57-80-76-42-16-23-45-83(76)94(89(80)62-70,66-33-11-5-12-34-66)67-35-13-6-14-36-67/h3-62H,1-2H3.
What are the key properties of 4-N-(9,9-dimethylfluoren-2-yl)-1-N-(9,9-diphenylfluoren-2-yl)-1-N,4-N-bis(2-phenylphenyl)-2-(9,9'-spirobi[fluorene]-2-yl)benzene-1,4-diamine?
4-N-(9,9-dimethylfluoren-2-yl)-1-N-(9,9-diphenylfluoren-2-yl)-1-N,4-N-bis(2-phenylphenyl)-2-(9,9'-spirobi[fluorene]-2-yl)benzene-1,4-diamine has a molecular weight of 1235.59 g/mol, XLogP of 24.64, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(9,9-dimethylfluoren-2-yl)-1-N-(9,9-diphenylfluoren-2-yl)-1-N,4-N-bis(2-phenylphenyl)-2-(9,9'-spirobi[fluorene]-2-yl)benzene-1,4-diamine is sourced from PubChem (CID 121361277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).