3,5-bis(9,9-dimethylfluoren-2-yl)-N-(4-methylphenyl)-N-phenylaniline

C49H41N — CID 58389731

IUPAC3,5-bis(9,9-dimethylfluoren-2-yl)-N-(4-methylphenyl)-N-phenylaniline
SMILESCc1ccc(N(c2ccccc2)c2cc(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c2)cc1
InChIInChI=1S/C49H41N/c1-32-19-23-38(24-20-32)50(37-13-7-6-8-14-37)39-28-35(33-21-25-42-40-15-9-11-17-44(40)48(2,3)46(42)30-33)27-36(29-39)34-22-26-43-41-16-10-12-18-45(41)49(4,5)47(43)31-34/h6-31H,1-5H3
InChIKeyAULNINVXOYUVTL-UHFFFAOYSA-N
MW643.87 g/mol
LogP13.41
Rot. Bonds5

About 3,5-bis(9,9-dimethylfluoren-2-yl)-N-(4-methylphenyl)-N-phenylaniline

3,5-bis(9,9-dimethylfluoren-2-yl)-N-(4-methylphenyl)-N-phenylaniline (PubChem CID 58389731) has the molecular formula C49H41N and a molecular weight of 643.87 g/mol. Its IUPAC name is 3,5-bis(9,9-dimethylfluoren-2-yl)-N-(4-methylphenyl)-N-phenylaniline.

Molecular Properties

Compound Name3,5-bis(9,9-dimethylfluoren-2-yl)-N-(4-methylphenyl)-N-phenylaniline
PubChem CID58389731
Molecular FormulaC49H41N
Molecular Weight643.87 g/mol
Exact Mass643.32
IUPAC Name3,5-bis(9,9-dimethylfluoren-2-yl)-N-(4-methylphenyl)-N-phenylaniline
SMILESCc1ccc(N(c2ccccc2)c2cc(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c2)cc1
InChIInChI=1S/C49H41N/c1-32-19-23-38(24-20-32)50(37-13-7-6-8-14-37)39-28-35(33-21-25-42-40-15-9-11-17-44(40)48(2,3)46(42)30-33)27-36(29-39)34-22-26-43-41-16-10-12-18-45(41)49(4,5)47(43)31-34/h6-31H,1-5H3
InChIKeyAULNINVXOYUVTL-UHFFFAOYSA-N
XLogP13.41
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500643.87
LogP ≤ 513.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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
5-[7-[3,5-bis(N-(4-phenylphenyl)anilino)phenyl]-9,9-dimethylfluoren-2-yl]-1-N,3-N-diphenyl-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine
CID 59510953
N-[4-[9,9-dimethyl-7-[4-(4-methyl-N-[4-(3-phenylphenyl)phenyl]anilino)phenyl]fluoren-2-yl]phenyl]-4-methyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 58939361
N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline
CID 59757697
N,N-bis(4-tert-butylphenyl)-3,5-bis(9,9-dimethylfluoren-2-yl)aniline
CID 58389668
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(3-methylphenyl)-7-(4-phenylphenyl)fluoren-2-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(4-methylphenyl)-7-(4-phenylphenyl)fluoren-2-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-phenyl-7-(4-phenylphenyl)fluoren-2-amine
CID 162180969
9,9-dimethyl-N-(4-methylphenyl)-N-(4-phenylphenyl)fluoren-2-amine
CID 118146352
N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline;N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-(4-phenylphenyl)aniline;4-(9,9-dimethylfluoren-2-yl)-N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]aniline;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N,4-diphenylaniline;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-(2-phenylphenyl)-N,N-bis[4-(2-phenylphenyl)phenyl]aniline
CID 159257633
9,9-dimethyl-N,N-bis(4-methylphenyl)fluoren-2-amine
CID 11111910
N-[4-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 169230595
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118146254
4-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyl-4-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 59025126

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(9,9-dimethylfluoren-2-yl)-N-(4-methylphenyl)-N-phenylaniline?
The IUPAC name of 3,5-bis(9,9-dimethylfluoren-2-yl)-N-(4-methylphenyl)-N-phenylaniline (CID 58389731) is 3,5-bis(9,9-dimethylfluoren-2-yl)-N-(4-methylphenyl)-N-phenylaniline.
What is the SMILES notation for 3,5-bis(9,9-dimethylfluoren-2-yl)-N-(4-methylphenyl)-N-phenylaniline?
The canonical SMILES for 3,5-bis(9,9-dimethylfluoren-2-yl)-N-(4-methylphenyl)-N-phenylaniline is Cc1ccc(N(c2ccccc2)c2cc(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c2)cc1.
What is the InChIKey of 3,5-bis(9,9-dimethylfluoren-2-yl)-N-(4-methylphenyl)-N-phenylaniline?
The InChIKey is AULNINVXOYUVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H41N/c1-32-19-23-38(24-20-32)50(37-13-7-6-8-14-37)39-28-35(33-21-25-42-40-15-9-11-17-44(40)48(2,3)46(42)30-33)27-36(29-39)34-22-26-43-41-16-10-12-18-45(41)49(4,5)47(43)31-34/h6-31H,1-5H3.
What are the key properties of 3,5-bis(9,9-dimethylfluoren-2-yl)-N-(4-methylphenyl)-N-phenylaniline?
3,5-bis(9,9-dimethylfluoren-2-yl)-N-(4-methylphenyl)-N-phenylaniline has a molecular weight of 643.87 g/mol, XLogP of 13.41, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(9,9-dimethylfluoren-2-yl)-N-(4-methylphenyl)-N-phenylaniline is sourced from PubChem (CID 58389731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).