3-(3-ethenylphenyl)-6-[6-(3-ethenylphenyl)-9-[3-(trifluoromethyl)phenyl]-9H-fluoren-3-yl]-9-(3-methylphenyl)carbazole

C55H38F3N — CID 89368394

IUPAC3-(3-ethenylphenyl)-6-[6-(3-ethenylphenyl)-9-[3-(trifluoromethyl)phenyl]-9H-fluoren-3-yl]-9-(3-methylphenyl)carbazole
SMILESC=Cc1cccc(-c2ccc3c(c2)-c2cc(-c4ccc5c(c4)c4cc(-c6cccc(C=C)c6)ccc4n5-c4cccc(C)c4)ccc2C3c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C55H38F3N/c1-4-35-11-7-13-37(27-35)39-18-22-46-48(30-39)49-31-40(19-23-47(49)54(46)43-15-9-16-44(29-43)55(56,57)58)42-21-25-53-51(33-42)50-32-41(38-14-8-12-36(5-2)28-38)20-24-52(50)59(53)45-17-6-10-34(3)26-45/h4-33,54H,1-2H2,3H3
InChIKeyBLUDPBZYRRAVLK-UHFFFAOYSA-N
MW769.91 g/mol
LogP15.56
Rot. Bonds7

About 3-(3-ethenylphenyl)-6-[6-(3-ethenylphenyl)-9-[3-(trifluoromethyl)phenyl]-9H-fluoren-3-yl]-9-(3-methylphenyl)carbazole

3-(3-ethenylphenyl)-6-[6-(3-ethenylphenyl)-9-[3-(trifluoromethyl)phenyl]-9H-fluoren-3-yl]-9-(3-methylphenyl)carbazole (PubChem CID 89368394) has the molecular formula C55H38F3N and a molecular weight of 769.91 g/mol. Its IUPAC name is 3-(3-ethenylphenyl)-6-[6-(3-ethenylphenyl)-9-[3-(trifluoromethyl)phenyl]-9H-fluoren-3-yl]-9-(3-methylphenyl)carbazole.

Molecular Properties

Compound Name3-(3-ethenylphenyl)-6-[6-(3-ethenylphenyl)-9-[3-(trifluoromethyl)phenyl]-9H-fluoren-3-yl]-9-(3-methylphenyl)carbazole
PubChem CID89368394
Molecular FormulaC55H38F3N
Molecular Weight769.91 g/mol
Exact Mass769.30
IUPAC Name3-(3-ethenylphenyl)-6-[6-(3-ethenylphenyl)-9-[3-(trifluoromethyl)phenyl]-9H-fluoren-3-yl]-9-(3-methylphenyl)carbazole
SMILESC=Cc1cccc(-c2ccc3c(c2)-c2cc(-c4ccc5c(c4)c4cc(-c6cccc(C=C)c6)ccc4n5-c4cccc(C)c4)ccc2C3c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C55H38F3N/c1-4-35-11-7-13-37(27-35)39-18-22-46-48(30-39)49-31-40(19-23-47(49)54(46)43-15-9-16-44(29-43)55(56,57)58)42-21-25-53-51(33-42)50-32-41(38-14-8-12-36(5-2)28-38)20-24-52(50)59(53)45-17-6-10-34(3)26-45/h4-33,54H,1-2H2,3H3
InChIKeyBLUDPBZYRRAVLK-UHFFFAOYSA-N
XLogP15.56
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500769.91
LogP ≤ 515.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9-[4-(10-phenylanthracen-9-yl)phenyl]-3-[9-[3-(trifluoromethyl)phenyl]-9H-fluoren-3-yl]carbazole
CID 88567746
3-N,6-N-dimethyl-3-N,9-bis(3-methylphenyl)-6-N-[3-(trifluoromethyl)phenyl]carbazole-3,6-diamine
CID 71202836
3-[9-[3-(4-carbazol-9-ylphenyl)phenyl]-9H-fluoren-3-yl]-9-phenylcarbazole
CID 170060039
9-(3-methylphenyl)-3,6-diphenylcarbazole;9-(3-methylphenyl)-3-phenylcarbazole
CID 162048953
4-[3-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazol-9-yl]benzonitrile;9-[4-(3-phenylphenyl)phenyl]-3-[9-(3-tritylphenyl)-9H-fluoren-3-yl]carbazole
CID 157164036
9-phenyl-3-[3-(9-phenylcarbazol-3-yl)-9H-fluoren-9-yl]carbazole
CID 118423662
3-ethenyl-9-(4-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 139518160
3-methyl-6-[6-methyl-9-(3-methylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 174182038
3-(9-phenyl-9H-fluoren-3-yl)-9-(4-phenylphenyl)carbazole
CID 170253658
3-[4-[(9R)-3-(3-carbazol-9-ylphenyl)-9H-fluoren-9-yl]phenyl]-9-(4-phenylphenyl)carbazole
CID 170074676
3,6-bis[2,4-bis(trifluoromethyl)phenyl]-9-[2-(3-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)-6-[3-(9H-fluoren-9-yl)phenyl]phenyl]carbazole
CID 166786381
N-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]phenyl]-4-(3,6-dimethylcarbazol-9-yl)-N-[4-(3-ethenylcarbazol-9-yl)phenyl]aniline
CID 89368375

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethenylphenyl)-6-[6-(3-ethenylphenyl)-9-[3-(trifluoromethyl)phenyl]-9H-fluoren-3-yl]-9-(3-methylphenyl)carbazole?
The IUPAC name of 3-(3-ethenylphenyl)-6-[6-(3-ethenylphenyl)-9-[3-(trifluoromethyl)phenyl]-9H-fluoren-3-yl]-9-(3-methylphenyl)carbazole (CID 89368394) is 3-(3-ethenylphenyl)-6-[6-(3-ethenylphenyl)-9-[3-(trifluoromethyl)phenyl]-9H-fluoren-3-yl]-9-(3-methylphenyl)carbazole.
What is the SMILES notation for 3-(3-ethenylphenyl)-6-[6-(3-ethenylphenyl)-9-[3-(trifluoromethyl)phenyl]-9H-fluoren-3-yl]-9-(3-methylphenyl)carbazole?
The canonical SMILES for 3-(3-ethenylphenyl)-6-[6-(3-ethenylphenyl)-9-[3-(trifluoromethyl)phenyl]-9H-fluoren-3-yl]-9-(3-methylphenyl)carbazole is C=Cc1cccc(-c2ccc3c(c2)-c2cc(-c4ccc5c(c4)c4cc(-c6cccc(C=C)c6)ccc4n5-c4cccc(C)c4)ccc2C3c2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 3-(3-ethenylphenyl)-6-[6-(3-ethenylphenyl)-9-[3-(trifluoromethyl)phenyl]-9H-fluoren-3-yl]-9-(3-methylphenyl)carbazole?
The InChIKey is BLUDPBZYRRAVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H38F3N/c1-4-35-11-7-13-37(27-35)39-18-22-46-48(30-39)49-31-40(19-23-47(49)54(46)43-15-9-16-44(29-43)55(56,57)58)42-21-25-53-51(33-42)50-32-41(38-14-8-12-36(5-2)28-38)20-24-52(50)59(53)45-17-6-10-34(3)26-45/h4-33,54H,1-2H2,3H3.
What are the key properties of 3-(3-ethenylphenyl)-6-[6-(3-ethenylphenyl)-9-[3-(trifluoromethyl)phenyl]-9H-fluoren-3-yl]-9-(3-methylphenyl)carbazole?
3-(3-ethenylphenyl)-6-[6-(3-ethenylphenyl)-9-[3-(trifluoromethyl)phenyl]-9H-fluoren-3-yl]-9-(3-methylphenyl)carbazole has a molecular weight of 769.91 g/mol, XLogP of 15.56, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethenylphenyl)-6-[6-(3-ethenylphenyl)-9-[3-(trifluoromethyl)phenyl]-9H-fluoren-3-yl]-9-(3-methylphenyl)carbazole is sourced from PubChem (CID 89368394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).