9-benzyl-1-[9-benzyl-2-hydroxy-3-methyl-7-(trifluoromethyl)carbazol-1-yl]-3-methyl-7-(trifluoromethyl)carbazol-2-ol

C42H30F6N2O2 — CID 134962064

IUPAC9-benzyl-1-[9-benzyl-2-hydroxy-3-methyl-7-(trifluoromethyl)carbazol-1-yl]-3-methyl-7-(trifluoromethyl)carbazol-2-ol
SMILESCc1cc2c3ccc(C(F)(F)F)cc3n(Cc3ccccc3)c2c(-c2c(O)c(C)cc3c4ccc(C(F)(F)F)cc4n(Cc4ccccc4)c23)c1O
InChIInChI=1S/C42H30F6N2O2/c1-23-17-31-29-15-13-27(41(43,44)45)19-33(29)49(21-25-9-5-3-6-10-25)37(31)35(39(23)51)36-38-32(18-24(2)40(36)52)30-16-14-28(42(46,47)48)20-34(30)50(38)22-26-11-7-4-8-12-26/h3-20,51-52H,21-22H2,1-2H3
InChIKeyAOFFSHDYQRKGNO-UHFFFAOYSA-N
MW708.70 g/mol
LogP11.73
Rot. Bonds5

About 9-benzyl-1-[9-benzyl-2-hydroxy-3-methyl-7-(trifluoromethyl)carbazol-1-yl]-3-methyl-7-(trifluoromethyl)carbazol-2-ol

9-benzyl-1-[9-benzyl-2-hydroxy-3-methyl-7-(trifluoromethyl)carbazol-1-yl]-3-methyl-7-(trifluoromethyl)carbazol-2-ol (PubChem CID 134962064) has the molecular formula C42H30F6N2O2 and a molecular weight of 708.70 g/mol. Its IUPAC name is 9-benzyl-1-[9-benzyl-2-hydroxy-3-methyl-7-(trifluoromethyl)carbazol-1-yl]-3-methyl-7-(trifluoromethyl)carbazol-2-ol.

Molecular Properties

Compound Name9-benzyl-1-[9-benzyl-2-hydroxy-3-methyl-7-(trifluoromethyl)carbazol-1-yl]-3-methyl-7-(trifluoromethyl)carbazol-2-ol
PubChem CID134962064
Molecular FormulaC42H30F6N2O2
Molecular Weight708.70 g/mol
Exact Mass708.22
IUPAC Name9-benzyl-1-[9-benzyl-2-hydroxy-3-methyl-7-(trifluoromethyl)carbazol-1-yl]-3-methyl-7-(trifluoromethyl)carbazol-2-ol
SMILESCc1cc2c3ccc(C(F)(F)F)cc3n(Cc3ccccc3)c2c(-c2c(O)c(C)cc3c4ccc(C(F)(F)F)cc4n(Cc4ccccc4)c23)c1O
InChIInChI=1S/C42H30F6N2O2/c1-23-17-31-29-15-13-27(41(43,44)45)19-33(29)49(21-25-9-5-3-6-10-25)37(31)35(39(23)51)36-38-32(18-24(2)40(36)52)30-16-14-28(42(46,47)48)20-34(30)50(38)22-26-11-7-4-8-12-26/h3-20,51-52H,21-22H2,1-2H3
InChIKeyAOFFSHDYQRKGNO-UHFFFAOYSA-N
XLogP11.73
TPSA50.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500708.70
LogP ≤ 511.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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1-[[4-[[5-Hydroxy-2-(4-hydroxyphenyl)-3-methylindol-1-yl]methyl]phenyl]methyl]-2-(4-hydroxyphenyl)-3-methylindol-5-ol
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Frequently Asked Questions

What is the IUPAC name of 9-benzyl-1-[9-benzyl-2-hydroxy-3-methyl-7-(trifluoromethyl)carbazol-1-yl]-3-methyl-7-(trifluoromethyl)carbazol-2-ol?
The IUPAC name of 9-benzyl-1-[9-benzyl-2-hydroxy-3-methyl-7-(trifluoromethyl)carbazol-1-yl]-3-methyl-7-(trifluoromethyl)carbazol-2-ol (CID 134962064) is 9-benzyl-1-[9-benzyl-2-hydroxy-3-methyl-7-(trifluoromethyl)carbazol-1-yl]-3-methyl-7-(trifluoromethyl)carbazol-2-ol.
What is the SMILES notation for 9-benzyl-1-[9-benzyl-2-hydroxy-3-methyl-7-(trifluoromethyl)carbazol-1-yl]-3-methyl-7-(trifluoromethyl)carbazol-2-ol?
The canonical SMILES for 9-benzyl-1-[9-benzyl-2-hydroxy-3-methyl-7-(trifluoromethyl)carbazol-1-yl]-3-methyl-7-(trifluoromethyl)carbazol-2-ol is Cc1cc2c3ccc(C(F)(F)F)cc3n(Cc3ccccc3)c2c(-c2c(O)c(C)cc3c4ccc(C(F)(F)F)cc4n(Cc4ccccc4)c23)c1O.
What is the InChIKey of 9-benzyl-1-[9-benzyl-2-hydroxy-3-methyl-7-(trifluoromethyl)carbazol-1-yl]-3-methyl-7-(trifluoromethyl)carbazol-2-ol?
The InChIKey is AOFFSHDYQRKGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H30F6N2O2/c1-23-17-31-29-15-13-27(41(43,44)45)19-33(29)49(21-25-9-5-3-6-10-25)37(31)35(39(23)51)36-38-32(18-24(2)40(36)52)30-16-14-28(42(46,47)48)20-34(30)50(38)22-26-11-7-4-8-12-26/h3-20,51-52H,21-22H2,1-2H3.
What are the key properties of 9-benzyl-1-[9-benzyl-2-hydroxy-3-methyl-7-(trifluoromethyl)carbazol-1-yl]-3-methyl-7-(trifluoromethyl)carbazol-2-ol?
9-benzyl-1-[9-benzyl-2-hydroxy-3-methyl-7-(trifluoromethyl)carbazol-1-yl]-3-methyl-7-(trifluoromethyl)carbazol-2-ol has a molecular weight of 708.70 g/mol, XLogP of 11.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzyl-1-[9-benzyl-2-hydroxy-3-methyl-7-(trifluoromethyl)carbazol-1-yl]-3-methyl-7-(trifluoromethyl)carbazol-2-ol is sourced from PubChem (CID 134962064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).