7-[4-[9,9-dimethyl-7-(4-methyl-N-(4-methylphenyl)anilino)fluoren-2-yl]-2,5-dimethylphenyl]-9,9-dimethyl-N-(4-methylcyclohexa-1,5-dien-1-yl)-N-(4-methylphenyl)fluoren-2-amine

C66H62N2 — CID 58918406

IUPAC7-[4-[9,9-dimethyl-7-(4-methyl-N-(4-methylphenyl)anilino)fluoren-2-yl]-2,5-dimethylphenyl]-9,9-dimethyl-N-(4-methylcyclohexa-1,5-dien-1-yl)-N-(4-methylphenyl)fluoren-2-amine
SMILESCc1ccc(N(C2=CCC(C)C=C2)c2ccc3c(c2)C(C)(C)c2cc(-c4cc(C)c(-c5ccc6c(c5)C(C)(C)c5cc(N(c7ccc(C)cc7)c7ccc(C)cc7)ccc5-6)cc4C)ccc2-3)cc1
InChIInChI=1S/C66H62N2/c1-41-11-21-49(22-12-41)67(50-23-13-42(2)14-24-50)53-29-33-57-55-31-19-47(37-61(55)65(7,8)63(57)39-53)59-35-46(6)60(36-45(59)5)48-20-32-56-58-34-30-54(40-64(58)66(9,10)62(56)38-48)68(51-25-15-43(3)16-26-51)52-27-17-44(4)18-28-52/h11-17,19-40,44H,18H2,1-10H3
InChIKeyIAGSIVJWYBRWCC-UHFFFAOYSA-N
MW883.24 g/mol
LogP18.26
Rot. Bonds8

About 7-[4-[9,9-dimethyl-7-(4-methyl-N-(4-methylphenyl)anilino)fluoren-2-yl]-2,5-dimethylphenyl]-9,9-dimethyl-N-(4-methylcyclohexa-1,5-dien-1-yl)-N-(4-methylphenyl)fluoren-2-amine

7-[4-[9,9-dimethyl-7-(4-methyl-N-(4-methylphenyl)anilino)fluoren-2-yl]-2,5-dimethylphenyl]-9,9-dimethyl-N-(4-methylcyclohexa-1,5-dien-1-yl)-N-(4-methylphenyl)fluoren-2-amine (PubChem CID 58918406) has the molecular formula C66H62N2 and a molecular weight of 883.24 g/mol. Its IUPAC name is 7-[4-[9,9-dimethyl-7-(4-methyl-N-(4-methylphenyl)anilino)fluoren-2-yl]-2,5-dimethylphenyl]-9,9-dimethyl-N-(4-methylcyclohexa-1,5-dien-1-yl)-N-(4-methylphenyl)fluoren-2-amine.

Molecular Properties

Compound Name7-[4-[9,9-dimethyl-7-(4-methyl-N-(4-methylphenyl)anilino)fluoren-2-yl]-2,5-dimethylphenyl]-9,9-dimethyl-N-(4-methylcyclohexa-1,5-dien-1-yl)-N-(4-methylphenyl)fluoren-2-amine
PubChem CID58918406
Molecular FormulaC66H62N2
Molecular Weight883.24 g/mol
Exact Mass882.49
IUPAC Name7-[4-[9,9-dimethyl-7-(4-methyl-N-(4-methylphenyl)anilino)fluoren-2-yl]-2,5-dimethylphenyl]-9,9-dimethyl-N-(4-methylcyclohexa-1,5-dien-1-yl)-N-(4-methylphenyl)fluoren-2-amine
SMILESCc1ccc(N(C2=CCC(C)C=C2)c2ccc3c(c2)C(C)(C)c2cc(-c4cc(C)c(-c5ccc6c(c5)C(C)(C)c5cc(N(c7ccc(C)cc7)c7ccc(C)cc7)ccc5-6)cc4C)ccc2-3)cc1
InChIInChI=1S/C66H62N2/c1-41-11-21-49(22-12-41)67(50-23-13-42(2)14-24-50)53-29-33-57-55-31-19-47(37-61(55)65(7,8)63(57)39-53)59-35-46(6)60(36-45(59)5)48-20-32-56-58-34-30-54(40-64(58)66(9,10)62(56)38-48)68(51-25-15-43(3)16-26-51)52-27-17-44(4)18-28-52/h11-17,19-40,44H,18H2,1-10H3
InChIKeyIAGSIVJWYBRWCC-UHFFFAOYSA-N
XLogP18.26
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500883.24
LogP ≤ 518.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7-[4-[9,9-dimethyl-7-(4-methyl-N-(4-methylphenyl)anilino)fluoren-2-yl]-2,5-dimethylphenyl]-9,9-dimethyl-N-(4-methylcyclohexa-1,5-dien-1-yl)-N-(4-methylphenyl)fluoren-2-amine with MolForge

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Related Compounds

9,9-dimethyl-N-(4-methylcyclohexa-1,5-dien-1-yl)-N-(4-methylphenyl)fluoren-2-amine
CID 123266293
2'-[(4-methylcyclohexa-1,3-dien-1-yl)-(4-methylcyclohexa-1,5-dien-1-yl)amino]-7'-(4-methyl-N-(4-methylphenyl)anilino)-9,9'-spirobi[fluorene]-2,7-dicarbonitrile
CID 134445079
6,6,12,12-tetramethyl-2-N,2-N,8-N,8-N-tetrakis(4-methylphenyl)indeno[1,2-b]fluorene-2,8-diamine
CID 59800971
N-[3-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-N-(4-methylphenyl)-9,9-diphenyl-7-(2-phenylphenyl)fluoren-2-amine
CID 144950157
5-[7-[3,5-bis(4-methyl-N-(4-methylphenyl)anilino)phenyl]-9,9-dimethylfluoren-2-yl]-1-N,1-N,3-N,3-N-tetrakis(4-methylphenyl)benzene-1,3-diamine
CID 59510924
9,9-dimethyl-N,N-bis(4-methylphenyl)fluoren-2-amine
CID 11111910
N-(3,4-diphenylphenyl)-9,9-dimethyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)fluoren-2-amine
CID 134320783
N-[4-(9,9-dimethylfluoren-2-yl)cyclohexa-1,5-dien-1-yl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 164821085
N-(4-methylcyclohexa-1,5-dien-1-yl)-N-[4-[4-[4-(N-triphenylen-2-ylanilino)phenyl]phenyl]phenyl]triphenylen-2-amine
CID 134321142
N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-9,9-dimethyl-N-[2-(4-methylcyclohexa-1,5-dien-1-yl)-4-phenylphenyl]fluoren-2-amine
CID 142481137
9,9-dimethyl-N,N-diphenyl-7-[(E)-2-[4-(N-phenylanilino)cyclohexa-2,4-dien-1-yl]ethenyl]fluoren-2-amine
CID 129095683
9,9-dimethyl-N-(4-methylphenyl)-N-(4-phenylphenyl)fluoren-2-amine
CID 118146352

Frequently Asked Questions

What is the IUPAC name of 7-[4-[9,9-dimethyl-7-(4-methyl-N-(4-methylphenyl)anilino)fluoren-2-yl]-2,5-dimethylphenyl]-9,9-dimethyl-N-(4-methylcyclohexa-1,5-dien-1-yl)-N-(4-methylphenyl)fluoren-2-amine?
The IUPAC name of 7-[4-[9,9-dimethyl-7-(4-methyl-N-(4-methylphenyl)anilino)fluoren-2-yl]-2,5-dimethylphenyl]-9,9-dimethyl-N-(4-methylcyclohexa-1,5-dien-1-yl)-N-(4-methylphenyl)fluoren-2-amine (CID 58918406) is 7-[4-[9,9-dimethyl-7-(4-methyl-N-(4-methylphenyl)anilino)fluoren-2-yl]-2,5-dimethylphenyl]-9,9-dimethyl-N-(4-methylcyclohexa-1,5-dien-1-yl)-N-(4-methylphenyl)fluoren-2-amine.
What is the SMILES notation for 7-[4-[9,9-dimethyl-7-(4-methyl-N-(4-methylphenyl)anilino)fluoren-2-yl]-2,5-dimethylphenyl]-9,9-dimethyl-N-(4-methylcyclohexa-1,5-dien-1-yl)-N-(4-methylphenyl)fluoren-2-amine?
The canonical SMILES for 7-[4-[9,9-dimethyl-7-(4-methyl-N-(4-methylphenyl)anilino)fluoren-2-yl]-2,5-dimethylphenyl]-9,9-dimethyl-N-(4-methylcyclohexa-1,5-dien-1-yl)-N-(4-methylphenyl)fluoren-2-amine is Cc1ccc(N(C2=CCC(C)C=C2)c2ccc3c(c2)C(C)(C)c2cc(-c4cc(C)c(-c5ccc6c(c5)C(C)(C)c5cc(N(c7ccc(C)cc7)c7ccc(C)cc7)ccc5-6)cc4C)ccc2-3)cc1.
What is the InChIKey of 7-[4-[9,9-dimethyl-7-(4-methyl-N-(4-methylphenyl)anilino)fluoren-2-yl]-2,5-dimethylphenyl]-9,9-dimethyl-N-(4-methylcyclohexa-1,5-dien-1-yl)-N-(4-methylphenyl)fluoren-2-amine?
The InChIKey is IAGSIVJWYBRWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H62N2/c1-41-11-21-49(22-12-41)67(50-23-13-42(2)14-24-50)53-29-33-57-55-31-19-47(37-61(55)65(7,8)63(57)39-53)59-35-46(6)60(36-45(59)5)48-20-32-56-58-34-30-54(40-64(58)66(9,10)62(56)38-48)68(51-25-15-43(3)16-26-51)52-27-17-44(4)18-28-52/h11-17,19-40,44H,18H2,1-10H3.
What are the key properties of 7-[4-[9,9-dimethyl-7-(4-methyl-N-(4-methylphenyl)anilino)fluoren-2-yl]-2,5-dimethylphenyl]-9,9-dimethyl-N-(4-methylcyclohexa-1,5-dien-1-yl)-N-(4-methylphenyl)fluoren-2-amine?
7-[4-[9,9-dimethyl-7-(4-methyl-N-(4-methylphenyl)anilino)fluoren-2-yl]-2,5-dimethylphenyl]-9,9-dimethyl-N-(4-methylcyclohexa-1,5-dien-1-yl)-N-(4-methylphenyl)fluoren-2-amine has a molecular weight of 883.24 g/mol, XLogP of 18.26, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[9,9-dimethyl-7-(4-methyl-N-(4-methylphenyl)anilino)fluoren-2-yl]-2,5-dimethylphenyl]-9,9-dimethyl-N-(4-methylcyclohexa-1,5-dien-1-yl)-N-(4-methylphenyl)fluoren-2-amine is sourced from PubChem (CID 58918406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).