4-[[3-[9-[(4-phenylphenyl)methyl]-9H-fluoren-3-yl]-9H-fluoren-9-yl]methyl]dibenzofuran

C52H36O — CID 142356030

IUPAC4-[[3-[9-[(4-phenylphenyl)methyl]-9H-fluoren-3-yl]-9H-fluoren-9-yl]methyl]dibenzofuran
SMILESc1ccc(-c2ccc(CC3c4ccccc4-c4cc(-c5ccc6c(c5)-c5ccccc5C6Cc5cccc6c5oc5ccccc56)ccc43)cc2)cc1
InChIInChI=1S/C52H36O/c1-2-11-34(12-3-1)35-23-21-33(22-24-35)29-47-39-14-4-5-15-40(39)48-30-36(25-27-43(47)48)37-26-28-44-49(31-37)41-16-6-7-17-42(41)50(44)32-38-13-10-19-46-45-18-8-9-20-51(45)53-52(38)46/h1-28,30-31,47,50H,29,32H2
InChIKeyMVPFNSRHZINWKU-UHFFFAOYSA-N
MW676.86 g/mol
LogP13.63
Rot. Bonds6

About 4-[[3-[9-[(4-phenylphenyl)methyl]-9H-fluoren-3-yl]-9H-fluoren-9-yl]methyl]dibenzofuran

4-[[3-[9-[(4-phenylphenyl)methyl]-9H-fluoren-3-yl]-9H-fluoren-9-yl]methyl]dibenzofuran (PubChem CID 142356030) has the molecular formula C52H36O and a molecular weight of 676.86 g/mol. Its IUPAC name is 4-[[3-[9-[(4-phenylphenyl)methyl]-9H-fluoren-3-yl]-9H-fluoren-9-yl]methyl]dibenzofuran.

Molecular Properties

Compound Name4-[[3-[9-[(4-phenylphenyl)methyl]-9H-fluoren-3-yl]-9H-fluoren-9-yl]methyl]dibenzofuran
PubChem CID142356030
Molecular FormulaC52H36O
Molecular Weight676.86 g/mol
Exact Mass676.28
IUPAC Name4-[[3-[9-[(4-phenylphenyl)methyl]-9H-fluoren-3-yl]-9H-fluoren-9-yl]methyl]dibenzofuran
SMILESc1ccc(-c2ccc(CC3c4ccccc4-c4cc(-c5ccc6c(c5)-c5ccccc5C6Cc5cccc6c5oc5ccccc56)ccc43)cc2)cc1
InChIInChI=1S/C52H36O/c1-2-11-34(12-3-1)35-23-21-33(22-24-35)29-47-39-14-4-5-15-40(39)48-30-36(25-27-43(47)48)37-26-28-44-49(31-37)41-16-6-7-17-42(41)50(44)32-38-13-10-19-46-45-18-8-9-20-51(45)53-52(38)46/h1-28,30-31,47,50H,29,32H2
InChIKeyMVPFNSRHZINWKU-UHFFFAOYSA-N
XLogP13.63
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.86
LogP ≤ 513.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-[[3-[9-[(4-phenylphenyl)methyl]-9H-fluoren-3-yl]-9H-fluoren-9-yl]methyl]dibenzofuran with MolForge

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Related Compounds

4-[4-[1-(4-dibenzofuran-4-ylphenyl)-4-(2,5-diphenylphenyl)butan-2-yl]phenyl]dibenzofuran
CID 167122557
4-[3-[3-(2-bromophenyl)phenyl]-9H-fluoren-9-yl]dibenzofuran
CID 90215135
4-[4-[6-(4-phenylphenyl)naphthalen-2-yl]phenyl]dibenzofuran
CID 170289932
4-[3-[4-[bis(4-phenylphenyl)methyl]phenyl]phenyl]dibenzofuran
CID 168845323
4-[4-[4-[bis[4-(3-phenylphenyl)phenyl]methyl]phenyl]phenyl]dibenzofuran
CID 59136660
4-[4-[bis[4-(3-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran
CID 59137016
4-(3-dibenzofuran-4-yl-5-phenylphenyl)dibenzofuran
CID 122451689
2-[4-[(4-dibenzofuran-4-ylphenyl)methyl]phenyl]dibenzofuran
CID 159612507
N-(4-dibenzofuran-4-ylcyclohexyl)-N-(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline
CID 140920872
3-[4-(9H-fluoren-9-yl)phenyl]-9-[4-[9-[(4-phenylphenyl)methyl]-9H-fluoren-3-yl]phenyl]carbazole
CID 170064226
4-[3-(9,10-diphenylanthracen-2-yl)-5-phenylphenyl]dibenzofuran
CID 58261860
4-[3-[3-(4-methylphenyl)phenyl]phenyl]dibenzofuran
CID 67964725

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[9-[(4-phenylphenyl)methyl]-9H-fluoren-3-yl]-9H-fluoren-9-yl]methyl]dibenzofuran?
The IUPAC name of 4-[[3-[9-[(4-phenylphenyl)methyl]-9H-fluoren-3-yl]-9H-fluoren-9-yl]methyl]dibenzofuran (CID 142356030) is 4-[[3-[9-[(4-phenylphenyl)methyl]-9H-fluoren-3-yl]-9H-fluoren-9-yl]methyl]dibenzofuran.
What is the SMILES notation for 4-[[3-[9-[(4-phenylphenyl)methyl]-9H-fluoren-3-yl]-9H-fluoren-9-yl]methyl]dibenzofuran?
The canonical SMILES for 4-[[3-[9-[(4-phenylphenyl)methyl]-9H-fluoren-3-yl]-9H-fluoren-9-yl]methyl]dibenzofuran is c1ccc(-c2ccc(CC3c4ccccc4-c4cc(-c5ccc6c(c5)-c5ccccc5C6Cc5cccc6c5oc5ccccc56)ccc43)cc2)cc1.
What is the InChIKey of 4-[[3-[9-[(4-phenylphenyl)methyl]-9H-fluoren-3-yl]-9H-fluoren-9-yl]methyl]dibenzofuran?
The InChIKey is MVPFNSRHZINWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36O/c1-2-11-34(12-3-1)35-23-21-33(22-24-35)29-47-39-14-4-5-15-40(39)48-30-36(25-27-43(47)48)37-26-28-44-49(31-37)41-16-6-7-17-42(41)50(44)32-38-13-10-19-46-45-18-8-9-20-51(45)53-52(38)46/h1-28,30-31,47,50H,29,32H2.
What are the key properties of 4-[[3-[9-[(4-phenylphenyl)methyl]-9H-fluoren-3-yl]-9H-fluoren-9-yl]methyl]dibenzofuran?
4-[[3-[9-[(4-phenylphenyl)methyl]-9H-fluoren-3-yl]-9H-fluoren-9-yl]methyl]dibenzofuran has a molecular weight of 676.86 g/mol, XLogP of 13.63, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[9-[(4-phenylphenyl)methyl]-9H-fluoren-3-yl]-9H-fluoren-9-yl]methyl]dibenzofuran is sourced from PubChem (CID 142356030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).