3-[4-[2-[2-methyl-5-(9-phenyl-9H-fluoren-3-yl)phenyl]phenoxy]naphthalen-1-yl]dibenzofuran

C54H36O2 — CID 126760091

IUPAC3-[4-[2-[2-methyl-5-(9-phenyl-9H-fluoren-3-yl)phenyl]phenoxy]naphthalen-1-yl]dibenzofuran
SMILESCc1ccc(-c2ccc3c(c2)-c2ccccc2C3c2ccccc2)cc1-c1ccccc1Oc1ccc(-c2ccc3c(c2)oc2ccccc23)c2ccccc12
InChIInChI=1S/C54H36O2/c1-34-23-24-36(37-25-28-47-49(32-37)41-16-6-8-20-46(41)54(47)35-13-3-2-4-14-35)31-48(34)44-19-10-12-22-51(44)55-52-30-29-39(40-15-5-7-17-42(40)52)38-26-27-45-43-18-9-11-21-50(43)56-53(45)33-38/h2-33,54H,1H3
InChIKeyUPASANRIEMHZRS-UHFFFAOYSA-N
MW716.88 g/mol
LogP15.00
Rot. Bonds6

About 3-[4-[2-[2-methyl-5-(9-phenyl-9H-fluoren-3-yl)phenyl]phenoxy]naphthalen-1-yl]dibenzofuran

3-[4-[2-[2-methyl-5-(9-phenyl-9H-fluoren-3-yl)phenyl]phenoxy]naphthalen-1-yl]dibenzofuran (PubChem CID 126760091) has the molecular formula C54H36O2 and a molecular weight of 716.88 g/mol. Its IUPAC name is 3-[4-[2-[2-methyl-5-(9-phenyl-9H-fluoren-3-yl)phenyl]phenoxy]naphthalen-1-yl]dibenzofuran.

Molecular Properties

Compound Name3-[4-[2-[2-methyl-5-(9-phenyl-9H-fluoren-3-yl)phenyl]phenoxy]naphthalen-1-yl]dibenzofuran
PubChem CID126760091
Molecular FormulaC54H36O2
Molecular Weight716.88 g/mol
Exact Mass716.27
IUPAC Name3-[4-[2-[2-methyl-5-(9-phenyl-9H-fluoren-3-yl)phenyl]phenoxy]naphthalen-1-yl]dibenzofuran
SMILESCc1ccc(-c2ccc3c(c2)-c2ccccc2C3c2ccccc2)cc1-c1ccccc1Oc1ccc(-c2ccc3c(c2)oc2ccccc23)c2ccccc12
InChIInChI=1S/C54H36O2/c1-34-23-24-36(37-25-28-47-49(32-37)41-16-6-8-20-46(41)54(47)35-13-3-2-4-14-35)31-48(34)44-19-10-12-22-51(44)55-52-30-29-39(40-15-5-7-17-42(40)52)38-26-27-45-43-18-9-11-21-50(43)56-53(45)33-38/h2-33,54H,1H3
InChIKeyUPASANRIEMHZRS-UHFFFAOYSA-N
XLogP15.00
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.88
LogP ≤ 515.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[6-[2-(9-phenyl-9H-fluoren-3-yl)-9H-fluoren-9-yl]naphthalen-2-yl]dibenzofuran
CID 126753885
1-[2-[2-(9-phenyl-9H-fluoren-3-yl)-9H-fluoren-9-yl]phenyl]dibenzofuran
CID 126753743
24-phenyl-28-(9-phenyl-9H-fluoren-3-yl)-14-oxa-24-azaheptacyclo[19.11.0.02,7.08,13.015,20.023,31.025,30]dotriaconta-1(32),2,4,6,8,10,12,15,17,19,21,23(31),25(30),26,28-pentadecaene
CID 130323535
2,4-diphenyl-6-[8-(9-phenyl-9H-fluoren-2-yl)dibenzofuran-3-yl]-1,3,5-triazine
CID 171597120
6-(9-phenylcarbazol-3-yl)-1-(9-phenyl-9H-fluoren-3-yl)xanthen-9-one
CID 135232595
N-dibenzofuran-2-yl-8-(9-phenyl-9H-fluoren-3-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 171448031
11-(7-dibenzofuran-3-yldibenzofuran-3-yl)-12-phenyl-12H-indeno[2,1-a]carbazole
CID 170285824
3-[8-dibenzofuran-3-yl-10-(4-phenylphenyl)anthracen-1-yl]dibenzofuran
CID 155334112
3-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran
CID 118671052
3-[4-(1,8-dimethyl-9H-fluoren-9-yl)phenyl]xanthen-9-one
CID 165377177
3-(10-tetraphenylen-2-ylanthracen-9-yl)dibenzofuran
CID 138553319
3-[4-[4-(4-methylphenyl)phenyl]phenyl]dibenzofuran
CID 67964733

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-[2-methyl-5-(9-phenyl-9H-fluoren-3-yl)phenyl]phenoxy]naphthalen-1-yl]dibenzofuran?
The IUPAC name of 3-[4-[2-[2-methyl-5-(9-phenyl-9H-fluoren-3-yl)phenyl]phenoxy]naphthalen-1-yl]dibenzofuran (CID 126760091) is 3-[4-[2-[2-methyl-5-(9-phenyl-9H-fluoren-3-yl)phenyl]phenoxy]naphthalen-1-yl]dibenzofuran.
What is the SMILES notation for 3-[4-[2-[2-methyl-5-(9-phenyl-9H-fluoren-3-yl)phenyl]phenoxy]naphthalen-1-yl]dibenzofuran?
The canonical SMILES for 3-[4-[2-[2-methyl-5-(9-phenyl-9H-fluoren-3-yl)phenyl]phenoxy]naphthalen-1-yl]dibenzofuran is Cc1ccc(-c2ccc3c(c2)-c2ccccc2C3c2ccccc2)cc1-c1ccccc1Oc1ccc(-c2ccc3c(c2)oc2ccccc23)c2ccccc12.
What is the InChIKey of 3-[4-[2-[2-methyl-5-(9-phenyl-9H-fluoren-3-yl)phenyl]phenoxy]naphthalen-1-yl]dibenzofuran?
The InChIKey is UPASANRIEMHZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36O2/c1-34-23-24-36(37-25-28-47-49(32-37)41-16-6-8-20-46(41)54(47)35-13-3-2-4-14-35)31-48(34)44-19-10-12-22-51(44)55-52-30-29-39(40-15-5-7-17-42(40)52)38-26-27-45-43-18-9-11-21-50(43)56-53(45)33-38/h2-33,54H,1H3.
What are the key properties of 3-[4-[2-[2-methyl-5-(9-phenyl-9H-fluoren-3-yl)phenyl]phenoxy]naphthalen-1-yl]dibenzofuran?
3-[4-[2-[2-methyl-5-(9-phenyl-9H-fluoren-3-yl)phenyl]phenoxy]naphthalen-1-yl]dibenzofuran has a molecular weight of 716.88 g/mol, XLogP of 15.00, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-[2-methyl-5-(9-phenyl-9H-fluoren-3-yl)phenyl]phenoxy]naphthalen-1-yl]dibenzofuran is sourced from PubChem (CID 126760091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).