4-[3-(9,9-dimethylfluoren-2-yl)phenyl]-3-phenyl-N,N-bis(4-phenylphenyl)aniline

C57H43N — CID 121477343

IUPAC4-[3-(9,9-dimethylfluoren-2-yl)phenyl]-3-phenyl-N,N-bis(4-phenylphenyl)aniline
SMILESCC1(C)c2ccccc2-c2ccc(-c3cccc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cc4-c4ccccc4)c3)cc21
InChIInChI=1S/C57H43N/c1-57(2)55-24-13-12-23-52(55)53-35-29-46(38-56(53)57)45-21-14-22-47(37-45)51-36-34-50(39-54(51)44-19-10-5-11-20-44)58(48-30-25-42(26-31-48)40-15-6-3-7-16-40)49-32-27-43(28-33-49)41-17-8-4-9-18-41/h3-39H,1-2H3
InChIKeyZHXXSRTUKHQITR-UHFFFAOYSA-N
MW741.98 g/mol
LogP15.80
Rot. Bonds8

About 4-[3-(9,9-dimethylfluoren-2-yl)phenyl]-3-phenyl-N,N-bis(4-phenylphenyl)aniline

4-[3-(9,9-dimethylfluoren-2-yl)phenyl]-3-phenyl-N,N-bis(4-phenylphenyl)aniline (PubChem CID 121477343) has the molecular formula C57H43N and a molecular weight of 741.98 g/mol. Its IUPAC name is 4-[3-(9,9-dimethylfluoren-2-yl)phenyl]-3-phenyl-N,N-bis(4-phenylphenyl)aniline.

Molecular Properties

Compound Name4-[3-(9,9-dimethylfluoren-2-yl)phenyl]-3-phenyl-N,N-bis(4-phenylphenyl)aniline
PubChem CID121477343
Molecular FormulaC57H43N
Molecular Weight741.98 g/mol
Exact Mass741.34
IUPAC Name4-[3-(9,9-dimethylfluoren-2-yl)phenyl]-3-phenyl-N,N-bis(4-phenylphenyl)aniline
SMILESCC1(C)c2ccccc2-c2ccc(-c3cccc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cc4-c4ccccc4)c3)cc21
InChIInChI=1S/C57H43N/c1-57(2)55-24-13-12-23-52(55)53-35-29-46(38-56(53)57)45-21-14-22-47(37-45)51-36-34-50(39-54(51)44-19-10-5-11-20-44)58(48-30-25-42(26-31-48)40-15-6-3-7-16-40)49-32-27-43(28-33-49)41-17-8-4-9-18-41/h3-39H,1-2H3
InChIKeyZHXXSRTUKHQITR-UHFFFAOYSA-N
XLogP15.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.98
LogP ≤ 515.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[6-[4-[4-[4-[N-[4-(9,9-dimethylfluoren-2-yl)-3-phenylphenyl]-4-(4-phenylphenyl)anilino]phenyl]phenyl]phenyl]naphthalen-2-yl]-3-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]aniline
CID 146496873
N-[3,4-bis(4-phenylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 134198401
N-[4-[4-(2,5-diphenylphenyl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 156578688
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
N,N-bis(4-bromophenyl)-3-(9,9-dimethylfluoren-2-yl)-4-(4-phenylphenyl)aniline
CID 153294011
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine
CID 158242505
N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)-2-phenylphenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 137389722
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118146254
N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline
CID 59757697
N-[3-(9,9-dimethylfluoren-2-yl)-2-(3-phenylphenyl)phenyl]-9,9-dimethyl-N-[4-(2-phenylphenyl)phenyl]fluoren-3-amine
CID 170665738
N-[4-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 169230595
N-(4-dibenzofuran-4-ylphenyl)-4-(9,9-dimethylfluoren-2-yl)-3-(3-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 146270984

Frequently Asked Questions

What is the IUPAC name of 4-[3-(9,9-dimethylfluoren-2-yl)phenyl]-3-phenyl-N,N-bis(4-phenylphenyl)aniline?
The IUPAC name of 4-[3-(9,9-dimethylfluoren-2-yl)phenyl]-3-phenyl-N,N-bis(4-phenylphenyl)aniline (CID 121477343) is 4-[3-(9,9-dimethylfluoren-2-yl)phenyl]-3-phenyl-N,N-bis(4-phenylphenyl)aniline.
What is the SMILES notation for 4-[3-(9,9-dimethylfluoren-2-yl)phenyl]-3-phenyl-N,N-bis(4-phenylphenyl)aniline?
The canonical SMILES for 4-[3-(9,9-dimethylfluoren-2-yl)phenyl]-3-phenyl-N,N-bis(4-phenylphenyl)aniline is CC1(C)c2ccccc2-c2ccc(-c3cccc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cc4-c4ccccc4)c3)cc21.
What is the InChIKey of 4-[3-(9,9-dimethylfluoren-2-yl)phenyl]-3-phenyl-N,N-bis(4-phenylphenyl)aniline?
The InChIKey is ZHXXSRTUKHQITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H43N/c1-57(2)55-24-13-12-23-52(55)53-35-29-46(38-56(53)57)45-21-14-22-47(37-45)51-36-34-50(39-54(51)44-19-10-5-11-20-44)58(48-30-25-42(26-31-48)40-15-6-3-7-16-40)49-32-27-43(28-33-49)41-17-8-4-9-18-41/h3-39H,1-2H3.
What are the key properties of 4-[3-(9,9-dimethylfluoren-2-yl)phenyl]-3-phenyl-N,N-bis(4-phenylphenyl)aniline?
4-[3-(9,9-dimethylfluoren-2-yl)phenyl]-3-phenyl-N,N-bis(4-phenylphenyl)aniline has a molecular weight of 741.98 g/mol, XLogP of 15.80, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(9,9-dimethylfluoren-2-yl)phenyl]-3-phenyl-N,N-bis(4-phenylphenyl)aniline is sourced from PubChem (CID 121477343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).