4-[6-[2,8-bis(5,6,7,8-tetrahydronaphthalen-1-yl)dibenzofuran-4-yl]-9H-fluoren-3-yl]-2,8-bis(5,6,7,8-tetrahydronaphthalen-1-yl)dibenzofuran

C77H62O2 — CID 159576995

IUPAC4-[6-[2,8-bis(5,6,7,8-tetrahydronaphthalen-1-yl)dibenzofuran-4-yl]-9H-fluoren-3-yl]-2,8-bis(5,6,7,8-tetrahydronaphthalen-1-yl)dibenzofuran
SMILESc1cc2c(c(-c3ccc4oc5c(-c6ccc7c(c6)-c6cc(-c8cc(-c9cccc%10c9CCCC%10)cc9c8oc8ccc(-c%10cccc%11c%10CCCC%11)cc89)ccc6C7)cc(-c6cccc7c6CCCC7)cc5c4c3)c1)CCCC2
InChIInChI=1S/C77H62O2/c1-5-21-58-46(13-1)17-9-25-62(58)52-33-35-74-70(40-52)72-44-56(64-27-11-19-48-15-3-7-23-60(48)64)42-68(76(72)78-74)54-31-29-50-37-51-30-32-55(39-67(51)66(50)38-54)69-43-57(65-28-12-20-49-16-4-8-24-61(49)65)45-73-71-41-53(34-36-75(71)79-77(69)73)63-26-10-18-47-14-2-6-22-59(47)63/h9-12,17-20,25-36,38-45H,1-8,13-16,21-24,37H2
InChIKeyJMGXYLQJHOOETA-UHFFFAOYSA-N
MW1019.34 g/mol
LogP20.57
Rot. Bonds6

About 4-[6-[2,8-bis(5,6,7,8-tetrahydronaphthalen-1-yl)dibenzofuran-4-yl]-9H-fluoren-3-yl]-2,8-bis(5,6,7,8-tetrahydronaphthalen-1-yl)dibenzofuran

4-[6-[2,8-bis(5,6,7,8-tetrahydronaphthalen-1-yl)dibenzofuran-4-yl]-9H-fluoren-3-yl]-2,8-bis(5,6,7,8-tetrahydronaphthalen-1-yl)dibenzofuran (PubChem CID 159576995) has the molecular formula C77H62O2 and a molecular weight of 1019.34 g/mol. Its IUPAC name is 4-[6-[2,8-bis(5,6,7,8-tetrahydronaphthalen-1-yl)dibenzofuran-4-yl]-9H-fluoren-3-yl]-2,8-bis(5,6,7,8-tetrahydronaphthalen-1-yl)dibenzofuran.

Molecular Properties

Compound Name4-[6-[2,8-bis(5,6,7,8-tetrahydronaphthalen-1-yl)dibenzofuran-4-yl]-9H-fluoren-3-yl]-2,8-bis(5,6,7,8-tetrahydronaphthalen-1-yl)dibenzofuran
PubChem CID159576995
Molecular FormulaC77H62O2
Molecular Weight1019.34 g/mol
Exact Mass1018.47
IUPAC Name4-[6-[2,8-bis(5,6,7,8-tetrahydronaphthalen-1-yl)dibenzofuran-4-yl]-9H-fluoren-3-yl]-2,8-bis(5,6,7,8-tetrahydronaphthalen-1-yl)dibenzofuran
SMILESc1cc2c(c(-c3ccc4oc5c(-c6ccc7c(c6)-c6cc(-c8cc(-c9cccc%10c9CCCC%10)cc9c8oc8ccc(-c%10cccc%11c%10CCCC%11)cc89)ccc6C7)cc(-c6cccc7c6CCCC7)cc5c4c3)c1)CCCC2
InChIInChI=1S/C77H62O2/c1-5-21-58-46(13-1)17-9-25-62(58)52-33-35-74-70(40-52)72-44-56(64-27-11-19-48-15-3-7-23-60(48)64)42-68(76(72)78-74)54-31-29-50-37-51-30-32-55(39-67(51)66(50)38-54)69-43-57(65-28-12-20-49-16-4-8-24-61(49)65)45-73-71-41-53(34-36-75(71)79-77(69)73)63-26-10-18-47-14-2-6-22-59(47)63/h9-12,17-20,25-36,38-45H,1-8,13-16,21-24,37H2
InChIKeyJMGXYLQJHOOETA-UHFFFAOYSA-N
XLogP20.57
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001019.34
LogP ≤ 520.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[6-[2,8-bis(5,6,7,8-tetrahydronaphthalen-1-yl)dibenzofuran-4-yl]-9H-fluoren-3-yl]-2,8-bis(5,6,7,8-tetrahydronaphthalen-1-yl)dibenzofuran with MolForge

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Related Compounds

3-dibenzofuran-4-yl-6-(5,6,7,8-tetrahydronaphthalen-1-yl)-9H-carbazole
CID 66800160
2,4,8-triphenyl-6-[6-(2,6,8-triphenyldibenzofuran-4-yl)-9H-fluoren-3-yl]dibenzofuran
CID 158206034
2,10-bis(3-phenylphenyl)-7H-fluoreno[2,3-b][1]benzofuran
CID 129231087
2-[8-[4-(9H-fluoren-3-yl)phenyl]dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 171597292
3-dibenzofuran-4-yl-9-[4-[10-(5,6,7,8-tetrahydronaphthalen-1-yl)anthracen-9-yl]phenyl]carbazole
CID 87171539
2-dibenzofuran-2-yl-4-dibenzofuran-4-yl-6-(9H-fluoren-2-yl)-1,3,5-triazine;2-dibenzofuran-1-yl-4-(3-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazine;2-(4-dibenzofuran-1-ylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 167611355
3,6-bis[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;3-(2,8-diphenyldibenzofuran-4-yl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;9-[4-(10-phenylanthracen-9-yl)phenyl]-3,6-bis[6-(2-phenylphenyl)dibenzofuran-4-yl]carbazole;9-[4-(10-phenylanthracen-9-yl)phenyl]-3,6-bis[6-(3-phenylphenyl)dibenzofuran-4-yl]carbazole;9-[4-(10-phenylanthracen-9-yl)phenyl]-3,6-bis[6-(4-phenylphenyl)dibenzofuran-4-yl]carbazole;9-[4-(10-phenylanthracen-9-yl)phenyl]-3,6-bis[6-(5,6,7,8-tetrahydronaphthalen-1-yl)dibenzofuran-4-yl]carbazole
CID 160519928
N-[4-[5-(9H-fluoren-2-yl)naphtho[1,2-b][1]benzofuran-8-yl]phenyl]-N,4-diphenylaniline
CID 167403227
8-(5-pentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2(7),3,5,9,11,13,15,17,19,22,24-dodecaenyl)-2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidine
CID 166726597
2,4,8-triphenyl-6-[7-(2,6,8-triphenyldibenzofuran-4-yl)-9H-fluoren-2-yl]dibenzofuran
CID 158117088
4-(2-dibenzofuran-4-yl-5,7-dihydrobenzo[d][2]benzothiepin-10-yl)dibenzofuran
CID 121441519
tetracyclo[9.7.0.03,9.012,17]octadeca-1(11),2,9,12,14,16-hexaene
CID 90965894

Frequently Asked Questions

What is the IUPAC name of 4-[6-[2,8-bis(5,6,7,8-tetrahydronaphthalen-1-yl)dibenzofuran-4-yl]-9H-fluoren-3-yl]-2,8-bis(5,6,7,8-tetrahydronaphthalen-1-yl)dibenzofuran?
The IUPAC name of 4-[6-[2,8-bis(5,6,7,8-tetrahydronaphthalen-1-yl)dibenzofuran-4-yl]-9H-fluoren-3-yl]-2,8-bis(5,6,7,8-tetrahydronaphthalen-1-yl)dibenzofuran (CID 159576995) is 4-[6-[2,8-bis(5,6,7,8-tetrahydronaphthalen-1-yl)dibenzofuran-4-yl]-9H-fluoren-3-yl]-2,8-bis(5,6,7,8-tetrahydronaphthalen-1-yl)dibenzofuran.
What is the SMILES notation for 4-[6-[2,8-bis(5,6,7,8-tetrahydronaphthalen-1-yl)dibenzofuran-4-yl]-9H-fluoren-3-yl]-2,8-bis(5,6,7,8-tetrahydronaphthalen-1-yl)dibenzofuran?
The canonical SMILES for 4-[6-[2,8-bis(5,6,7,8-tetrahydronaphthalen-1-yl)dibenzofuran-4-yl]-9H-fluoren-3-yl]-2,8-bis(5,6,7,8-tetrahydronaphthalen-1-yl)dibenzofuran is c1cc2c(c(-c3ccc4oc5c(-c6ccc7c(c6)-c6cc(-c8cc(-c9cccc%10c9CCCC%10)cc9c8oc8ccc(-c%10cccc%11c%10CCCC%11)cc89)ccc6C7)cc(-c6cccc7c6CCCC7)cc5c4c3)c1)CCCC2.
What is the InChIKey of 4-[6-[2,8-bis(5,6,7,8-tetrahydronaphthalen-1-yl)dibenzofuran-4-yl]-9H-fluoren-3-yl]-2,8-bis(5,6,7,8-tetrahydronaphthalen-1-yl)dibenzofuran?
The InChIKey is JMGXYLQJHOOETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H62O2/c1-5-21-58-46(13-1)17-9-25-62(58)52-33-35-74-70(40-52)72-44-56(64-27-11-19-48-15-3-7-23-60(48)64)42-68(76(72)78-74)54-31-29-50-37-51-30-32-55(39-67(51)66(50)38-54)69-43-57(65-28-12-20-49-16-4-8-24-61(49)65)45-73-71-41-53(34-36-75(71)79-77(69)73)63-26-10-18-47-14-2-6-22-59(47)63/h9-12,17-20,25-36,38-45H,1-8,13-16,21-24,37H2.
What are the key properties of 4-[6-[2,8-bis(5,6,7,8-tetrahydronaphthalen-1-yl)dibenzofuran-4-yl]-9H-fluoren-3-yl]-2,8-bis(5,6,7,8-tetrahydronaphthalen-1-yl)dibenzofuran?
4-[6-[2,8-bis(5,6,7,8-tetrahydronaphthalen-1-yl)dibenzofuran-4-yl]-9H-fluoren-3-yl]-2,8-bis(5,6,7,8-tetrahydronaphthalen-1-yl)dibenzofuran has a molecular weight of 1019.34 g/mol, XLogP of 20.57, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[2,8-bis(5,6,7,8-tetrahydronaphthalen-1-yl)dibenzofuran-4-yl]-9H-fluoren-3-yl]-2,8-bis(5,6,7,8-tetrahydronaphthalen-1-yl)dibenzofuran is sourced from PubChem (CID 159576995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).