9-[3-(3,6-dimethylcarbazol-9-yl)-2,5-bis(trifluoromethyl)-4,6-bis[3-(trifluoromethyl)phenyl]phenyl]-3,6-dimethylcarbazole

C50H32F12N2 — CID 163544817

IUPAC9-[3-(3,6-dimethylcarbazol-9-yl)-2,5-bis(trifluoromethyl)-4,6-bis[3-(trifluoromethyl)phenyl]phenyl]-3,6-dimethylcarbazole
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1c(-c2cccc(C(F)(F)F)c2)c(C(F)(F)F)c(-c2cccc(C(F)(F)F)c2)c(-n2c3ccc(C)cc3c3cc(C)ccc32)c1C(F)(F)F
InChIInChI=1S/C50H32F12N2/c1-25-11-15-37-33(19-25)34-20-26(2)12-16-38(34)63(37)45-41(29-7-5-9-31(23-29)47(51,52)53)43(49(57,58)59)42(30-8-6-10-32(24-30)48(54,55)56)46(44(45)50(60,61)62)64-39-17-13-27(3)21-35(39)36-22-28(4)14-18-40(36)64/h5-24H,1-4H3
InChIKeyFEDNMVGDSAHYKF-UHFFFAOYSA-N
MW888.80 g/mol
LogP16.52
Rot. Bonds4

About 9-[3-(3,6-dimethylcarbazol-9-yl)-2,5-bis(trifluoromethyl)-4,6-bis[3-(trifluoromethyl)phenyl]phenyl]-3,6-dimethylcarbazole

9-[3-(3,6-dimethylcarbazol-9-yl)-2,5-bis(trifluoromethyl)-4,6-bis[3-(trifluoromethyl)phenyl]phenyl]-3,6-dimethylcarbazole (PubChem CID 163544817) has the molecular formula C50H32F12N2 and a molecular weight of 888.80 g/mol. Its IUPAC name is 9-[3-(3,6-dimethylcarbazol-9-yl)-2,5-bis(trifluoromethyl)-4,6-bis[3-(trifluoromethyl)phenyl]phenyl]-3,6-dimethylcarbazole.

Molecular Properties

Compound Name9-[3-(3,6-dimethylcarbazol-9-yl)-2,5-bis(trifluoromethyl)-4,6-bis[3-(trifluoromethyl)phenyl]phenyl]-3,6-dimethylcarbazole
PubChem CID163544817
Molecular FormulaC50H32F12N2
Molecular Weight888.80 g/mol
Exact Mass888.24
IUPAC Name9-[3-(3,6-dimethylcarbazol-9-yl)-2,5-bis(trifluoromethyl)-4,6-bis[3-(trifluoromethyl)phenyl]phenyl]-3,6-dimethylcarbazole
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1c(-c2cccc(C(F)(F)F)c2)c(C(F)(F)F)c(-c2cccc(C(F)(F)F)c2)c(-n2c3ccc(C)cc3c3cc(C)ccc32)c1C(F)(F)F
InChIInChI=1S/C50H32F12N2/c1-25-11-15-37-33(19-25)34-20-26(2)12-16-38(34)63(37)45-41(29-7-5-9-31(23-29)47(51,52)53)43(49(57,58)59)42(30-8-6-10-32(24-30)48(54,55)56)46(44(45)50(60,61)62)64-39-17-13-27(3)21-35(39)36-22-28(4)14-18-40(36)64/h5-24H,1-4H3
InChIKeyFEDNMVGDSAHYKF-UHFFFAOYSA-N
XLogP16.52
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500888.80
LogP ≤ 516.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-[3-[3,6-bis(4-methylphenyl)carbazol-9-yl]-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4-methylphenyl)carbazole
CID 162571767
9-[4-(3,6-dimethylcarbazol-9-yl)-2,6-bis(4-fluorophenyl)-3,5-bis(trifluoromethyl)phenyl]-3,6-dimethylcarbazole
CID 163637475
9-[4-(4,6-diphenylpyrimidin-2-yl)-2-(3-methylphenyl)-6-[3-(trifluoromethyl)phenyl]phenyl]-3,6-dimethylcarbazole
CID 160614221
3-carbazol-9-yl-9-[2,3,5,6-tetra(carbazol-9-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]carbazole
CID 167107992
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
9-[3-fluoro-2-(trifluoromethyl)phenyl]-3,6-dimethylcarbazole
CID 122431595
3,6-diphenyl-9-[2,4,5-tris(3,6-diphenylcarbazol-9-yl)-3,6-bis(trifluoromethyl)phenyl]carbazole
CID 118615020
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis[4-(trifluoromethyl)phenyl]phenyl]-3-methyl-6-(trifluoromethyl)carbazole
CID 155447406
3,6-bis(2,4-dimethylphenyl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-methylphenyl)-6-[3-(trifluoromethyl)phenyl]phenyl]carbazole
CID 160520902
3-(9-phenylcarbazol-3-yl)-9-[2,4,6-tri(carbazol-9-yl)-3,5-bis[3-(trifluoromethyl)phenyl]phenyl]carbazole
CID 167107982
9-[2-[4-(3,6-dimethylcarbazol-9-yl)-3-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-5-[3-(trifluoromethyl)phenyl]phenyl]-3,6-dimethylcarbazole
CID 157346069
2,6-bis(2,7-dimethylcarbazol-9-yl)-3-[3-(trifluoromethyl)phenyl]benzonitrile
CID 162611014

Frequently Asked Questions

What is the IUPAC name of 9-[3-(3,6-dimethylcarbazol-9-yl)-2,5-bis(trifluoromethyl)-4,6-bis[3-(trifluoromethyl)phenyl]phenyl]-3,6-dimethylcarbazole?
The IUPAC name of 9-[3-(3,6-dimethylcarbazol-9-yl)-2,5-bis(trifluoromethyl)-4,6-bis[3-(trifluoromethyl)phenyl]phenyl]-3,6-dimethylcarbazole (CID 163544817) is 9-[3-(3,6-dimethylcarbazol-9-yl)-2,5-bis(trifluoromethyl)-4,6-bis[3-(trifluoromethyl)phenyl]phenyl]-3,6-dimethylcarbazole.
What is the SMILES notation for 9-[3-(3,6-dimethylcarbazol-9-yl)-2,5-bis(trifluoromethyl)-4,6-bis[3-(trifluoromethyl)phenyl]phenyl]-3,6-dimethylcarbazole?
The canonical SMILES for 9-[3-(3,6-dimethylcarbazol-9-yl)-2,5-bis(trifluoromethyl)-4,6-bis[3-(trifluoromethyl)phenyl]phenyl]-3,6-dimethylcarbazole is Cc1ccc2c(c1)c1cc(C)ccc1n2-c1c(-c2cccc(C(F)(F)F)c2)c(C(F)(F)F)c(-c2cccc(C(F)(F)F)c2)c(-n2c3ccc(C)cc3c3cc(C)ccc32)c1C(F)(F)F.
What is the InChIKey of 9-[3-(3,6-dimethylcarbazol-9-yl)-2,5-bis(trifluoromethyl)-4,6-bis[3-(trifluoromethyl)phenyl]phenyl]-3,6-dimethylcarbazole?
The InChIKey is FEDNMVGDSAHYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32F12N2/c1-25-11-15-37-33(19-25)34-20-26(2)12-16-38(34)63(37)45-41(29-7-5-9-31(23-29)47(51,52)53)43(49(57,58)59)42(30-8-6-10-32(24-30)48(54,55)56)46(44(45)50(60,61)62)64-39-17-13-27(3)21-35(39)36-22-28(4)14-18-40(36)64/h5-24H,1-4H3.
What are the key properties of 9-[3-(3,6-dimethylcarbazol-9-yl)-2,5-bis(trifluoromethyl)-4,6-bis[3-(trifluoromethyl)phenyl]phenyl]-3,6-dimethylcarbazole?
9-[3-(3,6-dimethylcarbazol-9-yl)-2,5-bis(trifluoromethyl)-4,6-bis[3-(trifluoromethyl)phenyl]phenyl]-3,6-dimethylcarbazole has a molecular weight of 888.80 g/mol, XLogP of 16.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(3,6-dimethylcarbazol-9-yl)-2,5-bis(trifluoromethyl)-4,6-bis[3-(trifluoromethyl)phenyl]phenyl]-3,6-dimethylcarbazole is sourced from PubChem (CID 163544817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).