9,9-bis[4-amino-3-methyl-5-(trifluoromethyl)phenyl]fluoren-2-ol

C29H22F6N2O — CID 138680395

IUPAC9,9-bis[4-amino-3-methyl-5-(trifluoromethyl)phenyl]fluoren-2-ol
SMILESCc1cc(C2(c3cc(C)c(N)c(C(F)(F)F)c3)c3ccccc3-c3ccc(O)cc32)cc(C(F)(F)F)c1N
InChIInChI=1S/C29H22F6N2O/c1-14-9-16(11-23(25(14)36)28(30,31)32)27(17-10-15(2)26(37)24(12-17)29(33,34)35)21-6-4-3-5-19(21)20-8-7-18(38)13-22(20)27/h3-13,38H,36-37H2,1-2H3
InChIKeyINTPCJNSZPRMJO-UHFFFAOYSA-N
MW528.50 g/mol
LogP7.57
Rot. Bonds2

About 9,9-bis[4-amino-3-methyl-5-(trifluoromethyl)phenyl]fluoren-2-ol

9,9-bis[4-amino-3-methyl-5-(trifluoromethyl)phenyl]fluoren-2-ol (PubChem CID 138680395) has the molecular formula C29H22F6N2O and a molecular weight of 528.50 g/mol. Its IUPAC name is 9,9-bis[4-amino-3-methyl-5-(trifluoromethyl)phenyl]fluoren-2-ol.

Molecular Properties

Compound Name9,9-bis[4-amino-3-methyl-5-(trifluoromethyl)phenyl]fluoren-2-ol
PubChem CID138680395
Molecular FormulaC29H22F6N2O
Molecular Weight528.50 g/mol
Exact Mass528.16
IUPAC Name9,9-bis[4-amino-3-methyl-5-(trifluoromethyl)phenyl]fluoren-2-ol
SMILESCc1cc(C2(c3cc(C)c(N)c(C(F)(F)F)c3)c3ccccc3-c3ccc(O)cc32)cc(C(F)(F)F)c1N
InChIInChI=1S/C29H22F6N2O/c1-14-9-16(11-23(25(14)36)28(30,31)32)27(17-10-15(2)26(37)24(12-17)29(33,34)35)21-6-4-3-5-19(21)20-8-7-18(38)13-22(20)27/h3-13,38H,36-37H2,1-2H3
InChIKeyINTPCJNSZPRMJO-UHFFFAOYSA-N
XLogP7.57
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.50
LogP ≤ 57.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

9-(4-amino-3-methylphenyl)-9-(4-hydroxy-3-methylphenyl)fluoren-2-ol
CID 144931267
4-[9-[4-hydroxy-3-(trifluoromethyl)phenyl]fluoren-9-yl]-2-(trifluoromethyl)phenol
CID 87557614
2-[4-[9-[4-[2-amino-6-(trifluoromethyl)phenoxy]-3-methylphenyl]fluoren-9-yl]-2-methylphenoxy]-3-(trifluoromethyl)aniline
CID 87388699
3-[4-[9-[4-[5-amino-2-(trifluoromethyl)phenoxy]-3-methylphenyl]fluoren-9-yl]-2-methylphenoxy]-4-(trifluoromethyl)aniline
CID 87389463
9,9-bis(4-iodo-3,5-dimethylphenyl)fluorene
CID 170621532
2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenol
CID 126487265
2-amino-5-[4-[9-[4-[4-methyl-2-(trifluoromethyl)phenoxy]phenyl]fluoren-9-yl]phenoxy]phenol
CID 22979019
4-(2-bromo-9-phenylfluoren-9-yl)phenol
CID 146438862
[5-[9-[3-(acetyloxymethyl)-4-hydroxy-5-methylphenyl]fluoren-9-yl]-2-hydroxy-3-methylphenyl]methyl acetate
CID 122578306
2-[9-(2,5-dihydroxyphenyl)fluoren-9-yl]benzene-1,4-diol
CID 137364137
4-[2-(4-methylphenyl)-9-phenylfluoren-9-yl]phenol
CID 122651606
2-[2-amino-5-[9-[4-amino-3-(2-hydroxypropan-2-yl)phenyl]fluoren-9-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 90246896

Frequently Asked Questions

What is the IUPAC name of 9,9-bis[4-amino-3-methyl-5-(trifluoromethyl)phenyl]fluoren-2-ol?
The IUPAC name of 9,9-bis[4-amino-3-methyl-5-(trifluoromethyl)phenyl]fluoren-2-ol (CID 138680395) is 9,9-bis[4-amino-3-methyl-5-(trifluoromethyl)phenyl]fluoren-2-ol.
What is the SMILES notation for 9,9-bis[4-amino-3-methyl-5-(trifluoromethyl)phenyl]fluoren-2-ol?
The canonical SMILES for 9,9-bis[4-amino-3-methyl-5-(trifluoromethyl)phenyl]fluoren-2-ol is Cc1cc(C2(c3cc(C)c(N)c(C(F)(F)F)c3)c3ccccc3-c3ccc(O)cc32)cc(C(F)(F)F)c1N.
What is the InChIKey of 9,9-bis[4-amino-3-methyl-5-(trifluoromethyl)phenyl]fluoren-2-ol?
The InChIKey is INTPCJNSZPRMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22F6N2O/c1-14-9-16(11-23(25(14)36)28(30,31)32)27(17-10-15(2)26(37)24(12-17)29(33,34)35)21-6-4-3-5-19(21)20-8-7-18(38)13-22(20)27/h3-13,38H,36-37H2,1-2H3.
What are the key properties of 9,9-bis[4-amino-3-methyl-5-(trifluoromethyl)phenyl]fluoren-2-ol?
9,9-bis[4-amino-3-methyl-5-(trifluoromethyl)phenyl]fluoren-2-ol has a molecular weight of 528.50 g/mol, XLogP of 7.57, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-bis[4-amino-3-methyl-5-(trifluoromethyl)phenyl]fluoren-2-ol is sourced from PubChem (CID 138680395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).