9-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-9-[4-(trimethyl-λ4-sulfanyl)phenyl]fluoren-2-amine

C52H43NS — CID 144558373

IUPAC9-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-9-[4-(trimethyl-λ4-sulfanyl)phenyl]fluoren-2-amine
SMILESCS(C)(C)c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccccc4-c4ccccc4)cc32)cc1
InChIInChI=1S/C52H43NS/c1-54(2,3)45-34-29-42(30-35-45)52(41-21-11-6-12-22-41)49-25-15-13-24-47(49)48-36-33-44(37-50(48)52)53(43-31-27-39(28-32-43)38-17-7-4-8-18-38)51-26-16-14-23-46(51)40-19-9-5-10-20-40/h4-37H,1-3H3
InChIKeyHVFPCGYXDJVUBU-UHFFFAOYSA-N
MW713.99 g/mol
LogP13.91
Rot. Bonds8

About 9-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-9-[4-(trimethyl-λ4-sulfanyl)phenyl]fluoren-2-amine

9-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-9-[4-(trimethyl-λ4-sulfanyl)phenyl]fluoren-2-amine (PubChem CID 144558373) has the molecular formula C52H43NS and a molecular weight of 713.99 g/mol. Its IUPAC name is 9-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-9-[4-(trimethyl-λ4-sulfanyl)phenyl]fluoren-2-amine.

Molecular Properties

Compound Name9-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-9-[4-(trimethyl-λ4-sulfanyl)phenyl]fluoren-2-amine
PubChem CID144558373
Molecular FormulaC52H43NS
Molecular Weight713.99 g/mol
Exact Mass713.31
IUPAC Name9-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-9-[4-(trimethyl-λ4-sulfanyl)phenyl]fluoren-2-amine
SMILESCS(C)(C)c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccccc4-c4ccccc4)cc32)cc1
InChIInChI=1S/C52H43NS/c1-54(2,3)45-34-29-42(30-35-45)52(41-21-11-6-12-22-41)49-25-15-13-24-47(49)48-36-33-44(37-50(48)52)53(43-31-27-39(28-32-43)38-17-7-4-8-18-38)51-26-16-14-23-46(51)40-19-9-5-10-20-40/h4-37H,1-3H3
InChIKeyHVFPCGYXDJVUBU-UHFFFAOYSA-N
XLogP13.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500713.99
LogP ≤ 513.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9,9-diphenyl-7-(9-phenylfluoren-9-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine
CID 140919853
N-[4-(9-phenylfluoren-9-yl)phenyl]-N,3-bis(4-phenylphenyl)aniline;2-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[3-(4-phenylphenyl)phenyl]aniline;3-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[3-(4-phenylphenyl)phenyl]aniline
CID 158825710
9,9-diphenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(2-phenylphenyl)fluoren-2-amine
CID 121464349
ethane;2-N,7-N,9,9-tetraphenyl-2-N,7-N-bis(2-phenylphenyl)fluorene-2,7-diamine
CID 160845132
N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-diphenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 121423779
9,9-diphenyl-N-(2-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 171451168
N-(9,9-diphenylfluoren-2-yl)-N-[2-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 118298454
N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 142481346
N-[7-[3-[3-[2-(N-[9,9-dimethyl-7-[4-(4-phenylphenyl)phenyl]fluoren-2-yl]-2-phenylanilino)-9-phenylfluoren-9-yl]phenyl]phenyl]-9,9-diphenylfluoren-2-yl]-9,9-dimethyl-N-(2-phenylphenyl)-7-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 139469384
N-(9,9-diphenylfluoren-2-yl)-N-(2-phenylphenyl)tetraphenylen-2-amine
CID 139297876
N-(9,9-diphenylfluoren-2-yl)-9,9-diphenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-9,9-diphenyl-N-[3-(2-phenylphenyl)phenyl]fluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-9,9-diphenyl-N-[3-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 159688731
9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 121464320

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-9-[4-(trimethyl-λ4-sulfanyl)phenyl]fluoren-2-amine?
The IUPAC name of 9-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-9-[4-(trimethyl-λ4-sulfanyl)phenyl]fluoren-2-amine (CID 144558373) is 9-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-9-[4-(trimethyl-λ4-sulfanyl)phenyl]fluoren-2-amine.
What is the SMILES notation for 9-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-9-[4-(trimethyl-λ4-sulfanyl)phenyl]fluoren-2-amine?
The canonical SMILES for 9-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-9-[4-(trimethyl-λ4-sulfanyl)phenyl]fluoren-2-amine is CS(C)(C)c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccccc4-c4ccccc4)cc32)cc1.
What is the InChIKey of 9-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-9-[4-(trimethyl-λ4-sulfanyl)phenyl]fluoren-2-amine?
The InChIKey is HVFPCGYXDJVUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H43NS/c1-54(2,3)45-34-29-42(30-35-45)52(41-21-11-6-12-22-41)49-25-15-13-24-47(49)48-36-33-44(37-50(48)52)53(43-31-27-39(28-32-43)38-17-7-4-8-18-38)51-26-16-14-23-46(51)40-19-9-5-10-20-40/h4-37H,1-3H3.
What are the key properties of 9-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-9-[4-(trimethyl-λ4-sulfanyl)phenyl]fluoren-2-amine?
9-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-9-[4-(trimethyl-λ4-sulfanyl)phenyl]fluoren-2-amine has a molecular weight of 713.99 g/mol, XLogP of 13.91, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-9-[4-(trimethyl-λ4-sulfanyl)phenyl]fluoren-2-amine is sourced from PubChem (CID 144558373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).