3-(9,9-dimethylfluoren-1-yl)-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-phenylaniline

C48H39N — CID 154972967

IUPAC3-(9,9-dimethylfluoren-1-yl)-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-phenylaniline
SMILESCC1(C)c2ccccc2-c2cccc(-c3cccc(N(c4ccccc4)c4cccc(-c5cccc6c5C(C)(C)c5ccccc5-6)c4)c3)c21
InChIInChI=1S/C48H39N/c1-47(2)43-28-10-8-22-39(43)41-26-14-24-37(45(41)47)32-16-12-20-35(30-32)49(34-18-6-5-7-19-34)36-21-13-17-33(31-36)38-25-15-27-42-40-23-9-11-29-44(40)48(3,4)46(38)42/h5-31H,1-4H3
InChIKeyIZDVLQSJJJISTD-UHFFFAOYSA-N
MW629.85 g/mol
LogP13.10
Rot. Bonds5

About 3-(9,9-dimethylfluoren-1-yl)-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-phenylaniline

3-(9,9-dimethylfluoren-1-yl)-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-phenylaniline (PubChem CID 154972967) has the molecular formula C48H39N and a molecular weight of 629.85 g/mol. Its IUPAC name is 3-(9,9-dimethylfluoren-1-yl)-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-phenylaniline.

Molecular Properties

Compound Name3-(9,9-dimethylfluoren-1-yl)-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-phenylaniline
PubChem CID154972967
Molecular FormulaC48H39N
Molecular Weight629.85 g/mol
Exact Mass629.31
IUPAC Name3-(9,9-dimethylfluoren-1-yl)-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-phenylaniline
SMILESCC1(C)c2ccccc2-c2cccc(-c3cccc(N(c4ccccc4)c4cccc(-c5cccc6c5C(C)(C)c5ccccc5-6)c4)c3)c21
InChIInChI=1S/C48H39N/c1-47(2)43-28-10-8-22-39(43)41-26-14-24-37(45(41)47)32-16-12-20-35(30-32)49(34-18-6-5-7-19-34)36-21-13-17-33(31-36)38-25-15-27-42-40-23-9-11-29-44(40)48(3,4)46(38)42/h5-31H,1-4H3
InChIKeyIZDVLQSJJJISTD-UHFFFAOYSA-N
XLogP13.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.85
LogP ≤ 513.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(9,9-dimethylfluoren-4-yl)-N-[3-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]aniline
CID 154972905
N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 170218403
N,3-diphenyl-N-[3-(9,9,10,10-tetramethylphenanthren-1-yl)phenyl]aniline
CID 163815741
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-3-naphthalen-2-yl-N-[3-(3-phenylphenyl)phenyl]aniline
CID 167324283
N-(9,9-dimethylfluoren-2-yl)-6,6,12,12-tetramethyl-7-phenyl-N-[4-(4-phenylphenyl)phenyl]indeno[1,2-b]fluoren-2-amine
CID 142541052
N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129267118
N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-3-phenyl-2-(2-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 168790399
N-[4-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 169230595
N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9,9-dimethyl-N-[4-[2-(4-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 170218178
N-(4-dibenzofuran-3-ylphenyl)-3-(9,9-dimethylfluoren-1-yl)-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]aniline
CID 162510720
9,9-dimethyl-1-phenylfluorene;methane
CID 142541097
N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]naphthalen-2-amine
CID 170216106

Frequently Asked Questions

What is the IUPAC name of 3-(9,9-dimethylfluoren-1-yl)-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-phenylaniline?
The IUPAC name of 3-(9,9-dimethylfluoren-1-yl)-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-phenylaniline (CID 154972967) is 3-(9,9-dimethylfluoren-1-yl)-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-phenylaniline.
What is the SMILES notation for 3-(9,9-dimethylfluoren-1-yl)-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-phenylaniline?
The canonical SMILES for 3-(9,9-dimethylfluoren-1-yl)-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-phenylaniline is CC1(C)c2ccccc2-c2cccc(-c3cccc(N(c4ccccc4)c4cccc(-c5cccc6c5C(C)(C)c5ccccc5-6)c4)c3)c21.
What is the InChIKey of 3-(9,9-dimethylfluoren-1-yl)-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-phenylaniline?
The InChIKey is IZDVLQSJJJISTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H39N/c1-47(2)43-28-10-8-22-39(43)41-26-14-24-37(45(41)47)32-16-12-20-35(30-32)49(34-18-6-5-7-19-34)36-21-13-17-33(31-36)38-25-15-27-42-40-23-9-11-29-44(40)48(3,4)46(38)42/h5-31H,1-4H3.
What are the key properties of 3-(9,9-dimethylfluoren-1-yl)-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-phenylaniline?
3-(9,9-dimethylfluoren-1-yl)-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-phenylaniline has a molecular weight of 629.85 g/mol, XLogP of 13.10, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9,9-dimethylfluoren-1-yl)-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-phenylaniline is sourced from PubChem (CID 154972967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).