2-(4-methylphenyl)-9-[2-[2-(4-methylphenyl)carbazol-9-yl]-4-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole

C52H34F6N2 — CID 162610922

IUPAC2-(4-methylphenyl)-9-[2-[2-(4-methylphenyl)carbazol-9-yl]-4-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole
SMILESCc1ccc(-c2ccc3c4ccccc4n(-c4cc(-c5cccc(C(F)(F)F)c5)c(C(F)(F)F)cc4-n4c5ccccc5c5ccc(-c6ccc(C)cc6)cc54)c3c2)cc1
InChIInChI=1S/C52H34F6N2/c1-31-14-18-33(19-15-31)35-22-24-41-39-10-3-5-12-45(39)59(47(41)27-35)49-29-43(37-8-7-9-38(26-37)51(53,54)55)44(52(56,57)58)30-50(49)60-46-13-6-4-11-40(46)42-25-23-36(28-48(42)60)34-20-16-32(2)17-21-34/h3-30H,1-2H3
InChIKeyVOPVCNXVAFGIHZ-UHFFFAOYSA-N
MW800.85 g/mol
LogP15.54
Rot. Bonds5

About 2-(4-methylphenyl)-9-[2-[2-(4-methylphenyl)carbazol-9-yl]-4-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole

2-(4-methylphenyl)-9-[2-[2-(4-methylphenyl)carbazol-9-yl]-4-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole (PubChem CID 162610922) has the molecular formula C52H34F6N2 and a molecular weight of 800.85 g/mol. Its IUPAC name is 2-(4-methylphenyl)-9-[2-[2-(4-methylphenyl)carbazol-9-yl]-4-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole.

Molecular Properties

Compound Name2-(4-methylphenyl)-9-[2-[2-(4-methylphenyl)carbazol-9-yl]-4-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole
PubChem CID162610922
Molecular FormulaC52H34F6N2
Molecular Weight800.85 g/mol
Exact Mass800.26
IUPAC Name2-(4-methylphenyl)-9-[2-[2-(4-methylphenyl)carbazol-9-yl]-4-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole
SMILESCc1ccc(-c2ccc3c4ccccc4n(-c4cc(-c5cccc(C(F)(F)F)c5)c(C(F)(F)F)cc4-n4c5ccccc5c5ccc(-c6ccc(C)cc6)cc54)c3c2)cc1
InChIInChI=1S/C52H34F6N2/c1-31-14-18-33(19-15-31)35-22-24-41-39-10-3-5-12-45(39)59(47(41)27-35)49-29-43(37-8-7-9-38(26-37)51(53,54)55)44(52(56,57)58)30-50(49)60-46-13-6-4-11-40(46)42-25-23-36(28-48(42)60)34-20-16-32(2)17-21-34/h3-30H,1-2H3
InChIKeyVOPVCNXVAFGIHZ-UHFFFAOYSA-N
XLogP15.54
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500800.85
LogP ≤ 515.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-tert-butyl-9-[2-(2-tert-butylcarbazol-9-yl)-4-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole
CID 142501935
3-(trifluoromethyl)-9-[4-(trifluoromethyl)-2-[3-(trifluoromethyl)carbazol-9-yl]-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole
CID 162610974
3-(2-phenyl-3-pyridinyl)-9-[2-[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole
CID 162611002
4-[2,4-bis(trifluoromethyl)phenyl]-2,6-bis[2-(4-methylphenyl)carbazol-9-yl]benzonitrile
CID 139402021
9-[3-[2,7-bis(4-methylphenyl)carbazol-9-yl]-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]-2,7-bis(4-methylphenyl)carbazole
CID 162571765
5-methyl-12-[2-(5-methylindolo[3,2-c]carbazol-12-yl)-4-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]indolo[3,2-c]carbazole
CID 142502095
3-[4,5-bis[2,7-bis(3,5-dimethylphenyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]benzonitrile
CID 155377888
5-[9-[5-(3-cyanophenyl)-2-[2-(3,5-dicyanophenyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 146238206
2-(6-phenyl-3-pyridinyl)-9-[4-[2-(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole
CID 142502050
3-[4-[2-[9-[4-(3-cyanophenyl)-2-(2-phenylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-2-phenylcarbazol-3-yl]-3-phenylcarbazol-9-yl]-5-(3-phenylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]benzonitrile
CID 146892582
4,5-bis(2,7-dimethylcarbazol-9-yl)-2-[3-(trifluoromethyl)phenyl]benzonitrile
CID 162610904
4-[2-[(3E)-6-methylhepta-1,3,5-trien-3-yl]carbazol-9-yl]-5-[2-(4-methylphenyl)carbazol-9-yl]-2-[3-(trifluoromethyl)phenyl]benzonitrile
CID 142501862

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-9-[2-[2-(4-methylphenyl)carbazol-9-yl]-4-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole?
The IUPAC name of 2-(4-methylphenyl)-9-[2-[2-(4-methylphenyl)carbazol-9-yl]-4-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole (CID 162610922) is 2-(4-methylphenyl)-9-[2-[2-(4-methylphenyl)carbazol-9-yl]-4-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole.
What is the SMILES notation for 2-(4-methylphenyl)-9-[2-[2-(4-methylphenyl)carbazol-9-yl]-4-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole?
The canonical SMILES for 2-(4-methylphenyl)-9-[2-[2-(4-methylphenyl)carbazol-9-yl]-4-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole is Cc1ccc(-c2ccc3c4ccccc4n(-c4cc(-c5cccc(C(F)(F)F)c5)c(C(F)(F)F)cc4-n4c5ccccc5c5ccc(-c6ccc(C)cc6)cc54)c3c2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-9-[2-[2-(4-methylphenyl)carbazol-9-yl]-4-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole?
The InChIKey is VOPVCNXVAFGIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34F6N2/c1-31-14-18-33(19-15-31)35-22-24-41-39-10-3-5-12-45(39)59(47(41)27-35)49-29-43(37-8-7-9-38(26-37)51(53,54)55)44(52(56,57)58)30-50(49)60-46-13-6-4-11-40(46)42-25-23-36(28-48(42)60)34-20-16-32(2)17-21-34/h3-30H,1-2H3.
What are the key properties of 2-(4-methylphenyl)-9-[2-[2-(4-methylphenyl)carbazol-9-yl]-4-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole?
2-(4-methylphenyl)-9-[2-[2-(4-methylphenyl)carbazol-9-yl]-4-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole has a molecular weight of 800.85 g/mol, XLogP of 15.54, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-9-[2-[2-(4-methylphenyl)carbazol-9-yl]-4-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole is sourced from PubChem (CID 162610922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).