2-fluoro-6-[7-fluoro-9-[9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]carbazol-3-yl]-9-phenylcarbazole

C48H28F2N2O — CID 177077466

IUPAC2-fluoro-6-[7-fluoro-9-[9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]carbazol-3-yl]-9-phenylcarbazole
SMILES[2H]c1c([2H])c([2H])c(-c2cccc3oc4ccc(-n5c6ccc(-c7ccc8c(c7)c7ccc(F)cc7n8-c7ccccc7)cc6c6ccc(F)cc65)cc4c23)c([2H])c1[2H]
InChIInChI=1S/C48H28F2N2O/c49-32-16-19-37-39-24-30(14-21-42(39)51(44(37)26-32)34-10-5-2-6-11-34)31-15-22-43-40(25-31)38-20-17-33(50)27-45(38)52(43)35-18-23-46-41(28-35)48-36(12-7-13-47(48)53-46)29-8-3-1-4-9-29/h1-28H/i1D,3D,4D,8D,9D
InChIKeyFOMHQRYSYXRIFY-XLIWWKSXSA-N
MW691.79 g/mol
LogP13.39
Rot. Bonds4

About 2-fluoro-6-[7-fluoro-9-[9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]carbazol-3-yl]-9-phenylcarbazole

2-fluoro-6-[7-fluoro-9-[9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]carbazol-3-yl]-9-phenylcarbazole (PubChem CID 177077466) has the molecular formula C48H28F2N2O and a molecular weight of 691.79 g/mol. Its IUPAC name is 2-fluoro-6-[7-fluoro-9-[9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]carbazol-3-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name2-fluoro-6-[7-fluoro-9-[9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]carbazol-3-yl]-9-phenylcarbazole
PubChem CID177077466
Molecular FormulaC48H28F2N2O
Molecular Weight691.79 g/mol
Exact Mass691.25
IUPAC Name2-fluoro-6-[7-fluoro-9-[9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]carbazol-3-yl]-9-phenylcarbazole
SMILES[2H]c1c([2H])c([2H])c(-c2cccc3oc4ccc(-n5c6ccc(-c7ccc8c(c7)c7ccc(F)cc7n8-c7ccccc7)cc6c6ccc(F)cc65)cc4c23)c([2H])c1[2H]
InChIInChI=1S/C48H28F2N2O/c49-32-16-19-37-39-24-30(14-21-42(39)51(44(37)26-32)34-10-5-2-6-11-34)31-15-22-43-40(25-31)38-20-17-33(50)27-45(38)52(43)35-18-23-46-41(28-35)48-36(12-7-13-47(48)53-46)29-8-3-1-4-9-29/h1-28H/i1D,3D,4D,8D,9D
InChIKeyFOMHQRYSYXRIFY-XLIWWKSXSA-N
XLogP13.39
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500691.79
LogP ≤ 513.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-phenyl-3-(9-phenylcarbazol-2-yl)-6-[9-(9-triphenylen-2-ylcarbazol-3-yl)dibenzofuran-2-yl]carbazole
CID 147321695
3-[9-(4-methylphenyl)carbazol-3-yl]-9-[9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-3-yl]carbazole
CID 177077405
2-[3-[3-[9-[9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]carbazol-3-yl]carbazol-9-yl]phenyl]-N-phenylaniline
CID 177077305
3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-[9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]carbazole
CID 177077333
3-(9-phenylcarbazol-3-yl)-9-[9-(4-phenylphenyl)dibenzofuran-2-yl]carbazole
CID 177077416
3-[9-(4-dibenzofuran-1-ylphenyl)carbazol-3-yl]-9-[9-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-3-yl]carbazole
CID 177077284
6-(6-isocyano-9-phenylcarbazol-3-yl)-9-[9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]carbazole-3-carbonitrile
CID 177077363
3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-[9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-3-yl]carbazole
CID 177077281
9-phenyl-14-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 134515861
10-(8-carbazol-9-yldibenzofuran-1-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 134516179
3-[9-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-9-dibenzofuran-3-ylcarbazole
CID 169060653
9-[9-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-2-phenylcarbazole
CID 169059424

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[7-fluoro-9-[9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]carbazol-3-yl]-9-phenylcarbazole?
The IUPAC name of 2-fluoro-6-[7-fluoro-9-[9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]carbazol-3-yl]-9-phenylcarbazole (CID 177077466) is 2-fluoro-6-[7-fluoro-9-[9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]carbazol-3-yl]-9-phenylcarbazole.
What is the SMILES notation for 2-fluoro-6-[7-fluoro-9-[9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]carbazol-3-yl]-9-phenylcarbazole?
The canonical SMILES for 2-fluoro-6-[7-fluoro-9-[9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]carbazol-3-yl]-9-phenylcarbazole is [2H]c1c([2H])c([2H])c(-c2cccc3oc4ccc(-n5c6ccc(-c7ccc8c(c7)c7ccc(F)cc7n8-c7ccccc7)cc6c6ccc(F)cc65)cc4c23)c([2H])c1[2H].
What is the InChIKey of 2-fluoro-6-[7-fluoro-9-[9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]carbazol-3-yl]-9-phenylcarbazole?
The InChIKey is FOMHQRYSYXRIFY-XLIWWKSXSA-N. The full InChI is InChI=1S/C48H28F2N2O/c49-32-16-19-37-39-24-30(14-21-42(39)51(44(37)26-32)34-10-5-2-6-11-34)31-15-22-43-40(25-31)38-20-17-33(50)27-45(38)52(43)35-18-23-46-41(28-35)48-36(12-7-13-47(48)53-46)29-8-3-1-4-9-29/h1-28H/i1D,3D,4D,8D,9D.
What are the key properties of 2-fluoro-6-[7-fluoro-9-[9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]carbazol-3-yl]-9-phenylcarbazole?
2-fluoro-6-[7-fluoro-9-[9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]carbazol-3-yl]-9-phenylcarbazole has a molecular weight of 691.79 g/mol, XLogP of 13.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[7-fluoro-9-[9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]carbazol-3-yl]-9-phenylcarbazole is sourced from PubChem (CID 177077466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).