2,4,8-triphenyl-6-[7-(2,6,8-triphenyldibenzofuran-4-yl)-9H-fluoren-2-yl]dibenzofuran

C73H46O2 — CID 158117088

IUPAC2,4,8-triphenyl-6-[7-(2,6,8-triphenyldibenzofuran-4-yl)-9H-fluoren-2-yl]dibenzofuran
SMILESc1ccc(-c2cc(-c3ccccc3)c3oc4c(-c5ccc6c(c5)Cc5cc(-c7cc(-c8ccccc8)cc8c7oc7c(-c9ccccc9)cc(-c9ccccc9)cc78)ccc5-6)cc(-c5ccccc5)cc4c3c2)cc1
InChIInChI=1S/C73H46O2/c1-7-19-46(20-8-1)54-38-62(50-27-15-5-16-28-50)70-66(42-54)68-44-56(48-23-11-3-12-24-48)40-64(72(68)74-70)52-31-33-60-58(35-52)37-59-36-53(32-34-61(59)60)65-41-57(49-25-13-4-14-26-49)45-69-67-43-55(47-21-9-2-10-22-47)39-63(71(67)75-73(65)69)51-29-17-6-18-30-51/h1-36,38-45H,37H2
InChIKeyITCTUXXJDDVRPL-UHFFFAOYSA-N
MW955.17 g/mol
LogP20.39
Rot. Bonds8

About 2,4,8-triphenyl-6-[7-(2,6,8-triphenyldibenzofuran-4-yl)-9H-fluoren-2-yl]dibenzofuran

2,4,8-triphenyl-6-[7-(2,6,8-triphenyldibenzofuran-4-yl)-9H-fluoren-2-yl]dibenzofuran (PubChem CID 158117088) has the molecular formula C73H46O2 and a molecular weight of 955.17 g/mol. Its IUPAC name is 2,4,8-triphenyl-6-[7-(2,6,8-triphenyldibenzofuran-4-yl)-9H-fluoren-2-yl]dibenzofuran.

Molecular Properties

Compound Name2,4,8-triphenyl-6-[7-(2,6,8-triphenyldibenzofuran-4-yl)-9H-fluoren-2-yl]dibenzofuran
PubChem CID158117088
Molecular FormulaC73H46O2
Molecular Weight955.17 g/mol
Exact Mass954.35
IUPAC Name2,4,8-triphenyl-6-[7-(2,6,8-triphenyldibenzofuran-4-yl)-9H-fluoren-2-yl]dibenzofuran
SMILESc1ccc(-c2cc(-c3ccccc3)c3oc4c(-c5ccc6c(c5)Cc5cc(-c7cc(-c8ccccc8)cc8c7oc7c(-c9ccccc9)cc(-c9ccccc9)cc78)ccc5-6)cc(-c5ccccc5)cc4c3c2)cc1
InChIInChI=1S/C73H46O2/c1-7-19-46(20-8-1)54-38-62(50-27-15-5-16-28-50)70-66(42-54)68-44-56(48-23-11-3-12-24-48)40-64(72(68)74-70)52-31-33-60-58(35-52)37-59-36-53(32-34-61(59)60)65-41-57(49-25-13-4-14-26-49)45-69-67-43-55(47-21-9-2-10-22-47)39-63(71(67)75-73(65)69)51-29-17-6-18-30-51/h1-36,38-45H,37H2
InChIKeyITCTUXXJDDVRPL-UHFFFAOYSA-N
XLogP20.39
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500955.17
LogP ≤ 520.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4,8-triphenyl-6-[6-(2,6,8-triphenyldibenzofuran-4-yl)-9H-fluoren-3-yl]dibenzofuran
CID 158206034
4-methyl-2,6,8-triphenyldibenzofuran
CID 71273276
2,4-diphenyl-6-[4-[8-phenyl-6-(4-phenylphenyl)dibenzofuran-4-yl]phenyl]-1,3,5-triazine
CID 164838394
2-[3-(6,8-diphenyldibenzofuran-4-yl)phenyl]-4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 164838374
4-tert-butyl-6-(9H-fluoren-3-yl)dibenzofuran;4-ethyl-6-(9H-fluoren-3-yl)dibenzofuran;4-(9H-fluoren-3-yl)dibenzofuran;4-(9H-fluoren-3-yl)-6-methyldibenzofuran;4-(9H-fluoren-3-yl)-6-phenyldibenzofuran;methane;4-phenyl-6-[7-(6-phenyldibenzofuran-4-yl)-9H-fluoren-2-yl]dibenzofuran;2,4,8-triphenyl-6-[6-(2,6,8-triphenyldibenzofuran-4-yl)-9H-fluoren-3-yl]dibenzofuran;2,4,8-triphenyl-6-[7-(2,6,8-triphenyldibenzofuran-4-yl)-9H-fluoren-2-yl]dibenzofuran
CID 162234529
4-(9H-fluoren-2-yl)-2,8-diphenyldibenzothiophene
CID 160811980
2,4,6,8-tetraphenyldibenzofuran-1-ol
CID 101377817
8,10-diphenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 171752030
2-[3-(9,10-diphenylanthracen-2-yl)phenyl]-4,6-bis(3-phenylphenyl)dibenzofuran
CID 58262014
N-(9H-fluoren-2-yl)-N,4-bis(4-phenylphenyl)dibenzofuran-2-amine
CID 140919212
4-(4-phenylphenyl)-6-triphenylen-2-yldibenzofuran
CID 118651099
N-[4-[5-(9H-fluoren-2-yl)naphtho[1,2-b][1]benzofuran-8-yl]phenyl]-N,4-diphenylaniline
CID 167403227

Frequently Asked Questions

What is the IUPAC name of 2,4,8-triphenyl-6-[7-(2,6,8-triphenyldibenzofuran-4-yl)-9H-fluoren-2-yl]dibenzofuran?
The IUPAC name of 2,4,8-triphenyl-6-[7-(2,6,8-triphenyldibenzofuran-4-yl)-9H-fluoren-2-yl]dibenzofuran (CID 158117088) is 2,4,8-triphenyl-6-[7-(2,6,8-triphenyldibenzofuran-4-yl)-9H-fluoren-2-yl]dibenzofuran.
What is the SMILES notation for 2,4,8-triphenyl-6-[7-(2,6,8-triphenyldibenzofuran-4-yl)-9H-fluoren-2-yl]dibenzofuran?
The canonical SMILES for 2,4,8-triphenyl-6-[7-(2,6,8-triphenyldibenzofuran-4-yl)-9H-fluoren-2-yl]dibenzofuran is c1ccc(-c2cc(-c3ccccc3)c3oc4c(-c5ccc6c(c5)Cc5cc(-c7cc(-c8ccccc8)cc8c7oc7c(-c9ccccc9)cc(-c9ccccc9)cc78)ccc5-6)cc(-c5ccccc5)cc4c3c2)cc1.
What is the InChIKey of 2,4,8-triphenyl-6-[7-(2,6,8-triphenyldibenzofuran-4-yl)-9H-fluoren-2-yl]dibenzofuran?
The InChIKey is ITCTUXXJDDVRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H46O2/c1-7-19-46(20-8-1)54-38-62(50-27-15-5-16-28-50)70-66(42-54)68-44-56(48-23-11-3-12-24-48)40-64(72(68)74-70)52-31-33-60-58(35-52)37-59-36-53(32-34-61(59)60)65-41-57(49-25-13-4-14-26-49)45-69-67-43-55(47-21-9-2-10-22-47)39-63(71(67)75-73(65)69)51-29-17-6-18-30-51/h1-36,38-45H,37H2.
What are the key properties of 2,4,8-triphenyl-6-[7-(2,6,8-triphenyldibenzofuran-4-yl)-9H-fluoren-2-yl]dibenzofuran?
2,4,8-triphenyl-6-[7-(2,6,8-triphenyldibenzofuran-4-yl)-9H-fluoren-2-yl]dibenzofuran has a molecular weight of 955.17 g/mol, XLogP of 20.39, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,8-triphenyl-6-[7-(2,6,8-triphenyldibenzofuran-4-yl)-9H-fluoren-2-yl]dibenzofuran is sourced from PubChem (CID 158117088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).