8-[3-[8-[3,6-bis(trifluoromethyl)carbazol-9-yl]dibenzofuran-2-yl]carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine

C49H25F6N3O2 — CID 163723899

IUPAC8-[3-[8-[3,6-bis(trifluoromethyl)carbazol-9-yl]dibenzofuran-2-yl]carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine
SMILESFC(F)(F)c1ccc2c(c1)c1cc(C(F)(F)F)ccc1n2-c1ccc2oc3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5oc6cccnc6c5c4)cc3c2c1
InChIInChI=1S/C49H25F6N3O2/c50-48(51,52)28-9-14-41-34(22-28)35-23-29(49(53,54)55)10-15-42(35)58(41)30-11-17-44-37(24-30)36-21-27(8-16-43(36)59-44)26-7-13-40-33(20-26)32-4-1-2-5-39(32)57(40)31-12-18-45-38(25-31)47-46(60-45)6-3-19-56-47/h1-25H
InChIKeyKTYQEEOPBFWBJL-UHFFFAOYSA-N
MW801.75 g/mol
LogP14.78
Rot. Bonds3

About 8-[3-[8-[3,6-bis(trifluoromethyl)carbazol-9-yl]dibenzofuran-2-yl]carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine

8-[3-[8-[3,6-bis(trifluoromethyl)carbazol-9-yl]dibenzofuran-2-yl]carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine (PubChem CID 163723899) has the molecular formula C49H25F6N3O2 and a molecular weight of 801.75 g/mol. Its IUPAC name is 8-[3-[8-[3,6-bis(trifluoromethyl)carbazol-9-yl]dibenzofuran-2-yl]carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine.

Molecular Properties

Compound Name8-[3-[8-[3,6-bis(trifluoromethyl)carbazol-9-yl]dibenzofuran-2-yl]carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine
PubChem CID163723899
Molecular FormulaC49H25F6N3O2
Molecular Weight801.75 g/mol
Exact Mass801.19
IUPAC Name8-[3-[8-[3,6-bis(trifluoromethyl)carbazol-9-yl]dibenzofuran-2-yl]carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine
SMILESFC(F)(F)c1ccc2c(c1)c1cc(C(F)(F)F)ccc1n2-c1ccc2oc3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5oc6cccnc6c5c4)cc3c2c1
InChIInChI=1S/C49H25F6N3O2/c50-48(51,52)28-9-14-41-34(22-28)35-23-29(49(53,54)55)10-15-42(35)58(41)30-11-17-44-37(24-30)36-21-27(8-16-43(36)59-44)26-7-13-40-33(20-26)32-4-1-2-5-39(32)57(40)31-12-18-45-38(25-31)47-46(60-45)6-3-19-56-47/h1-25H
InChIKeyKTYQEEOPBFWBJL-UHFFFAOYSA-N
XLogP14.78
TPSA49.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500801.75
LogP ≤ 514.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-Bis(2-(quinolin-6-yl)benzo[d]oxazol-5-yl)benzene
CID 86724828
2-N,9-dimethyl-7-N-(8-methyldibenzofuran-2-yl)-7-N-phenyl-2-N-[4-(trifluoromethyl)phenyl]carbazole-2,7-diamine
CID 23593276
9-(8-Fluorodibenzofuran-2-yl)-3-[9-(8-fluorodibenzofuran-2-yl)carbazol-3-yl]carbazole
CID 58511053
3-[9-Dibenzofuran-2-yl-6-(6-fluoro-9-phenylcarbazol-3-yl)carbazol-3-yl]-6-fluoro-9-phenylcarbazole
CID 68112373
2-[1-Benzyl-5-[3,5-bis(trifluoromethyl)phenyl]indol-3-yl]-2-oxoacetic acid;2-[1-benzyl-7-[4-(trifluoromethoxy)phenyl]indol-3-yl]-2-oxoacetic acid
CID 87586281
[1-Cyclopentyl-5-[4-(trifluoromethyl)phenyl]indol-3-yl] 2-[1-cyclopentyl-5-[4-(trifluoromethyl)phenyl]indol-3-yl]-2-oxoacetate
CID 87855979
[1-Cyclopentyl-5-[3-(trifluoromethyl)phenyl]indol-3-yl] 2-[1-cyclopentyl-5-[3-(trifluoromethyl)phenyl]indol-3-yl]-2-oxoacetate
CID 87941244
8-[4-(2,6-Diphenylpyridin-4-yl)phenyl]-3-(trifluoromethyl)-[1]benzofuro[3,2-b]pyridine
CID 89994807
2-(1-Adamantyl)-5-[8-[7-[2-(1-adamantyl)-9-(trifluoromethyl)benzo[b]carbazol-5-yl]dibenzofuran-2-yl]dibenzofuran-3-yl]-9-(trifluoromethyl)benzo[b]carbazole
CID 90213676
4-phenyl-N-(4-phenylphenyl)-N-[4-[9-[8-(trifluoromethyl)dibenzofuran-2-yl]carbazol-3-yl]phenyl]aniline
CID 90321207
8-[4-[4-Phenyl-6-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-3-(trifluoromethyl)-[1]benzofuro[3,2-b]pyridine
CID 117659653
2-(1-Adamantyl)-5-[8-[7-[2-(1-adamantyl)-9-(fluoromethyl)benzo[b]carbazol-5-yl]dibenzofuran-2-yl]dibenzofuran-3-yl]-9-(trifluoromethyl)benzo[b]carbazole
CID 118070926

Frequently Asked Questions

What is the IUPAC name of 8-[3-[8-[3,6-bis(trifluoromethyl)carbazol-9-yl]dibenzofuran-2-yl]carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine?
The IUPAC name of 8-[3-[8-[3,6-bis(trifluoromethyl)carbazol-9-yl]dibenzofuran-2-yl]carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine (CID 163723899) is 8-[3-[8-[3,6-bis(trifluoromethyl)carbazol-9-yl]dibenzofuran-2-yl]carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine.
What is the SMILES notation for 8-[3-[8-[3,6-bis(trifluoromethyl)carbazol-9-yl]dibenzofuran-2-yl]carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine?
The canonical SMILES for 8-[3-[8-[3,6-bis(trifluoromethyl)carbazol-9-yl]dibenzofuran-2-yl]carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine is FC(F)(F)c1ccc2c(c1)c1cc(C(F)(F)F)ccc1n2-c1ccc2oc3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5oc6cccnc6c5c4)cc3c2c1.
What is the InChIKey of 8-[3-[8-[3,6-bis(trifluoromethyl)carbazol-9-yl]dibenzofuran-2-yl]carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine?
The InChIKey is KTYQEEOPBFWBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H25F6N3O2/c50-48(51,52)28-9-14-41-34(22-28)35-23-29(49(53,54)55)10-15-42(35)58(41)30-11-17-44-37(24-30)36-21-27(8-16-43(36)59-44)26-7-13-40-33(20-26)32-4-1-2-5-39(32)57(40)31-12-18-45-38(25-31)47-46(60-45)6-3-19-56-47/h1-25H.
What are the key properties of 8-[3-[8-[3,6-bis(trifluoromethyl)carbazol-9-yl]dibenzofuran-2-yl]carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine?
8-[3-[8-[3,6-bis(trifluoromethyl)carbazol-9-yl]dibenzofuran-2-yl]carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine has a molecular weight of 801.75 g/mol, XLogP of 14.78, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-[8-[3,6-bis(trifluoromethyl)carbazol-9-yl]dibenzofuran-2-yl]carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine is sourced from PubChem (CID 163723899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).