9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[3-(4-phenylphenyl)-1,2,4-thiadiazol-5-yl]phenyl]fluoren-3-amine

C47H35N3S — CID 146533736

IUPAC9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[3-(4-phenylphenyl)-1,2,4-thiadiazol-5-yl]phenyl]fluoren-3-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4nc(-c5ccc(-c6ccccc6)cc5)ns4)cc3)ccc21
InChIInChI=1S/C47H35N3S/c1-47(2)43-16-10-9-15-41(43)42-31-40(29-30-44(42)47)50(38-25-21-35(22-26-38)33-13-7-4-8-14-33)39-27-23-37(24-28-39)46-48-45(49-51-46)36-19-17-34(18-20-36)32-11-5-3-6-12-32/h3-31H,1-2H3
InChIKeyIVNRSHIROMWVFN-UHFFFAOYSA-N
MW673.89 g/mol
LogP12.98
Rot. Bonds7

About 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[3-(4-phenylphenyl)-1,2,4-thiadiazol-5-yl]phenyl]fluoren-3-amine

9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[3-(4-phenylphenyl)-1,2,4-thiadiazol-5-yl]phenyl]fluoren-3-amine (PubChem CID 146533736) has the molecular formula C47H35N3S and a molecular weight of 673.89 g/mol. Its IUPAC name is 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[3-(4-phenylphenyl)-1,2,4-thiadiazol-5-yl]phenyl]fluoren-3-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[3-(4-phenylphenyl)-1,2,4-thiadiazol-5-yl]phenyl]fluoren-3-amine
PubChem CID146533736
Molecular FormulaC47H35N3S
Molecular Weight673.89 g/mol
Exact Mass673.26
IUPAC Name9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[3-(4-phenylphenyl)-1,2,4-thiadiazol-5-yl]phenyl]fluoren-3-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4nc(-c5ccc(-c6ccccc6)cc5)ns4)cc3)ccc21
InChIInChI=1S/C47H35N3S/c1-47(2)43-16-10-9-15-41(43)42-31-40(29-30-44(42)47)50(38-25-21-35(22-26-38)33-13-7-4-8-14-33)39-27-23-37(24-28-39)46-48-45(49-51-46)36-19-17-34(18-20-36)32-11-5-3-6-12-32/h3-31H,1-2H3
InChIKeyIVNRSHIROMWVFN-UHFFFAOYSA-N
XLogP12.98
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500673.89
LogP ≤ 512.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-3-amine
CID 121285785
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine
CID 158242505
9,9-dimethyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-N-(4-methylphenyl)fluoren-3-amine
CID 71249366
9,9-dimethyl-N,N-diphenylfluoren-3-amine
CID 126704960
N-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)triphenylen-2-amine
CID 176605475
9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-3'-amine
CID 142480942
4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 23561786
N-[4-(9,9-dimethyl-7-phenylfluoren-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 164822424
N-phenyl-4-(4-phenylphenyl)-N-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-3-yl)phenyl]aniline
CID 138462004
4-N-(9,9-dimethylfluoren-2-yl)-4-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-1-N-phenyl-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 138667384
7-(2,6-diphenylpyrimidin-4-yl)-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;7-(2,6-diphenylpyrimidin-4-yl)-9,9-dimethyl-N,N-diphenylfluoren-2-amine;4-(2,6-diphenylpyrimidin-4-yl)-N-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-N-phenylaniline;N-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 160636575
N-[3,4-bis(4-phenylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 134198401

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[3-(4-phenylphenyl)-1,2,4-thiadiazol-5-yl]phenyl]fluoren-3-amine?
The IUPAC name of 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[3-(4-phenylphenyl)-1,2,4-thiadiazol-5-yl]phenyl]fluoren-3-amine (CID 146533736) is 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[3-(4-phenylphenyl)-1,2,4-thiadiazol-5-yl]phenyl]fluoren-3-amine.
What is the SMILES notation for 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[3-(4-phenylphenyl)-1,2,4-thiadiazol-5-yl]phenyl]fluoren-3-amine?
The canonical SMILES for 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[3-(4-phenylphenyl)-1,2,4-thiadiazol-5-yl]phenyl]fluoren-3-amine is CC1(C)c2ccccc2-c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4nc(-c5ccc(-c6ccccc6)cc5)ns4)cc3)ccc21.
What is the InChIKey of 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[3-(4-phenylphenyl)-1,2,4-thiadiazol-5-yl]phenyl]fluoren-3-amine?
The InChIKey is IVNRSHIROMWVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H35N3S/c1-47(2)43-16-10-9-15-41(43)42-31-40(29-30-44(42)47)50(38-25-21-35(22-26-38)33-13-7-4-8-14-33)39-27-23-37(24-28-39)46-48-45(49-51-46)36-19-17-34(18-20-36)32-11-5-3-6-12-32/h3-31H,1-2H3.
What are the key properties of 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[3-(4-phenylphenyl)-1,2,4-thiadiazol-5-yl]phenyl]fluoren-3-amine?
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[3-(4-phenylphenyl)-1,2,4-thiadiazol-5-yl]phenyl]fluoren-3-amine has a molecular weight of 673.89 g/mol, XLogP of 12.98, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[3-(4-phenylphenyl)-1,2,4-thiadiazol-5-yl]phenyl]fluoren-3-amine is sourced from PubChem (CID 146533736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).