3-phenyl-9-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]-6-(trifluoromethyl)carbazole

C49H30F3NO — CID 134343654

IUPAC3-phenyl-9-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]-6-(trifluoromethyl)carbazole
SMILESFC(F)(F)c1ccc2c(c1)c1cc(-c3ccccc3)ccc1n2-c1ccc2oc3ccc(-c4cccc(-c5cccc(-c6ccccc6)c5)c4)cc3c2c1
InChIInChI=1S/C49H30F3NO/c50-49(51,52)39-19-22-46-42(29-39)41-27-37(32-11-5-2-6-12-32)17-21-45(41)53(46)40-20-24-48-44(30-40)43-28-38(18-23-47(43)54-48)36-16-8-15-35(26-36)34-14-7-13-33(25-34)31-9-3-1-4-10-31/h1-30H
InChIKeyJTCSXASHFBLXQH-UHFFFAOYSA-N
MW705.78 g/mol
LogP14.37
Rot. Bonds5

About 3-phenyl-9-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]-6-(trifluoromethyl)carbazole

3-phenyl-9-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]-6-(trifluoromethyl)carbazole (PubChem CID 134343654) has the molecular formula C49H30F3NO and a molecular weight of 705.78 g/mol. Its IUPAC name is 3-phenyl-9-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]-6-(trifluoromethyl)carbazole.

Molecular Properties

Compound Name3-phenyl-9-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]-6-(trifluoromethyl)carbazole
PubChem CID134343654
Molecular FormulaC49H30F3NO
Molecular Weight705.78 g/mol
Exact Mass705.23
IUPAC Name3-phenyl-9-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]-6-(trifluoromethyl)carbazole
SMILESFC(F)(F)c1ccc2c(c1)c1cc(-c3ccccc3)ccc1n2-c1ccc2oc3ccc(-c4cccc(-c5cccc(-c6ccccc6)c5)c4)cc3c2c1
InChIInChI=1S/C49H30F3NO/c50-49(51,52)39-19-22-46-42(29-39)41-27-37(32-11-5-2-6-12-32)17-21-45(41)53(46)40-20-24-48-44(30-40)43-28-38(18-23-47(43)54-48)36-16-8-15-35(26-36)34-14-7-13-33(25-34)31-9-3-1-4-10-31/h1-30H
InChIKeyJTCSXASHFBLXQH-UHFFFAOYSA-N
XLogP14.37
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.78
LogP ≤ 514.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-dibenzofuran-2-yl-3-phenyl-6-(3-phenylphenyl)carbazole
CID 118488369
3-phenyl-9-[8-[3-phenyl-5-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]carbazole
CID 170390017
9-dibenzofuran-2-yl-3-[3-[8-(3-phenylcarbazol-9-yl)dibenzofuran-2-yl]phenyl]carbazole
CID 123613126
3-[3-(3-phenylphenyl)phenyl]-9-[3-[8-[3-[4-[3-(3-phenylphenyl)phenyl]phenyl]carbazol-9-yl]dibenzofuran-2-yl]phenyl]carbazole
CID 118505153
3,9-diphenyl-6-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]carbazole
CID 118438947
3-carbazol-9-yl-6-[8-[3-[8-(6-carbazol-9-yl-9-phenylcarbazol-3-yl)dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 148847912
3,6-di(dibenzofuran-2-yl)-9-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]carbazole
CID 118488387
5-[9-(8-carbazol-9-yldibenzofuran-2-yl)-6-(trifluoromethyl)carbazol-3-yl]-1,3-benzoxazole
CID 134343640
3,6-diphenyl-9-(18-phenyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)carbazole
CID 59147259
3-phenyl-9-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole
CID 89491924
9-dibenzofuran-2-yl-3-[3-(3-dibenzofuran-2-ylphenyl)phenyl]carbazole
CID 123818422
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-[3-(3,5-diphenylphenyl)phenyl]-6-phenylcarbazole
CID 129265423

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-9-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]-6-(trifluoromethyl)carbazole?
The IUPAC name of 3-phenyl-9-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]-6-(trifluoromethyl)carbazole (CID 134343654) is 3-phenyl-9-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]-6-(trifluoromethyl)carbazole.
What is the SMILES notation for 3-phenyl-9-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]-6-(trifluoromethyl)carbazole?
The canonical SMILES for 3-phenyl-9-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]-6-(trifluoromethyl)carbazole is FC(F)(F)c1ccc2c(c1)c1cc(-c3ccccc3)ccc1n2-c1ccc2oc3ccc(-c4cccc(-c5cccc(-c6ccccc6)c5)c4)cc3c2c1.
What is the InChIKey of 3-phenyl-9-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]-6-(trifluoromethyl)carbazole?
The InChIKey is JTCSXASHFBLXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H30F3NO/c50-49(51,52)39-19-22-46-42(29-39)41-27-37(32-11-5-2-6-12-32)17-21-45(41)53(46)40-20-24-48-44(30-40)43-28-38(18-23-47(43)54-48)36-16-8-15-35(26-36)34-14-7-13-33(25-34)31-9-3-1-4-10-31/h1-30H.
What are the key properties of 3-phenyl-9-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]-6-(trifluoromethyl)carbazole?
3-phenyl-9-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]-6-(trifluoromethyl)carbazole has a molecular weight of 705.78 g/mol, XLogP of 14.37, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-9-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]-6-(trifluoromethyl)carbazole is sourced from PubChem (CID 134343654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).