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

C49H37F3N2 — CID 121447557

IUPAC9,9-dimethyl-N-[4-[1-methyl-2-phenyl-5-(trifluoromethyl)indol-3-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
SMILESCn1c(-c2ccccc2)c(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2)c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C49H37F3N2/c1-48(2)43-17-11-10-16-40(43)41-28-27-39(31-44(41)48)54(37-23-18-33(19-24-37)32-12-6-4-7-13-32)38-25-20-34(21-26-38)46-42-30-36(49(50,51)52)22-29-45(42)53(3)47(46)35-14-8-5-9-15-35/h4-31H,1-3H3
InChIKeyUMIDUDXYXRJIEV-UHFFFAOYSA-N
MW710.84 g/mol
LogP13.97
Rot. Bonds6

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

9,9-dimethyl-N-[4-[1-methyl-2-phenyl-5-(trifluoromethyl)indol-3-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 121447557) has the molecular formula C49H37F3N2 and a molecular weight of 710.84 g/mol. Its IUPAC name is 9,9-dimethyl-N-[4-[1-methyl-2-phenyl-5-(trifluoromethyl)indol-3-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-[4-[1-methyl-2-phenyl-5-(trifluoromethyl)indol-3-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
PubChem CID121447557
Molecular FormulaC49H37F3N2
Molecular Weight710.84 g/mol
Exact Mass710.29
IUPAC Name9,9-dimethyl-N-[4-[1-methyl-2-phenyl-5-(trifluoromethyl)indol-3-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
SMILESCn1c(-c2ccccc2)c(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2)c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C49H37F3N2/c1-48(2)43-17-11-10-16-40(43)41-28-27-39(31-44(41)48)54(37-23-18-33(19-24-37)32-12-6-4-7-13-32)38-25-20-34(21-26-38)46-42-30-36(49(50,51)52)22-29-45(42)53(3)47(46)35-14-8-5-9-15-35/h4-31H,1-3H3
InChIKeyUMIDUDXYXRJIEV-UHFFFAOYSA-N
XLogP13.97
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500710.84
LogP ≤ 513.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[2-(4-fluorophenyl)-1-methylindol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 121447558
9,9-dimethyl-N-[4-(1-methyl-2,4,5-triphenylpyrrol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 121450570
N-[4-(1,3-dimethyl-2-phenylindol-5-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 134507468
N-[4-(5-fluoro-1-methyl-2-phenylbenzo[g]indol-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 134399215
9,9-dimethyl-N-[4-(3-methyl-1,2-diphenylbenzo[e]indol-7-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 134395156
N-[4-(1-methyl-2-phenylindol-3-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 139408685
4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 23561786
N-(9,9-dimethylfluoren-2-yl)-6-[7-(N-(9,9-dimethylfluoren-2-yl)anilino)-9-methylcarbazol-3-yl]-9-methyl-N-phenylcarbazol-2-amine
CID 147401277
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
N-[4-(5-fluoro-1,2-diphenylbenzo[g]indol-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 134399176
N,N-bis[4-(2,6-diphenylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 168771647

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-[4-[1-methyl-2-phenyl-5-(trifluoromethyl)indol-3-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine?
The IUPAC name of 9,9-dimethyl-N-[4-[1-methyl-2-phenyl-5-(trifluoromethyl)indol-3-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine (CID 121447557) is 9,9-dimethyl-N-[4-[1-methyl-2-phenyl-5-(trifluoromethyl)indol-3-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N-[4-[1-methyl-2-phenyl-5-(trifluoromethyl)indol-3-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N-[4-[1-methyl-2-phenyl-5-(trifluoromethyl)indol-3-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine is Cn1c(-c2ccccc2)c(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2)c2cc(C(F)(F)F)ccc21.
What is the InChIKey of 9,9-dimethyl-N-[4-[1-methyl-2-phenyl-5-(trifluoromethyl)indol-3-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine?
The InChIKey is UMIDUDXYXRJIEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H37F3N2/c1-48(2)43-17-11-10-16-40(43)41-28-27-39(31-44(41)48)54(37-23-18-33(19-24-37)32-12-6-4-7-13-32)38-25-20-34(21-26-38)46-42-30-36(49(50,51)52)22-29-45(42)53(3)47(46)35-14-8-5-9-15-35/h4-31H,1-3H3.
What are the key properties of 9,9-dimethyl-N-[4-[1-methyl-2-phenyl-5-(trifluoromethyl)indol-3-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine?
9,9-dimethyl-N-[4-[1-methyl-2-phenyl-5-(trifluoromethyl)indol-3-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 710.84 g/mol, XLogP of 13.97, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-[4-[1-methyl-2-phenyl-5-(trifluoromethyl)indol-3-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 121447557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).