4-[(9,9-diphenylfluoren-2-yl)-[4-(9-phenylfluoren-9-yl)phenyl]methyl]dibenzofuran

C63H42O — CID 158401172

IUPAC4-[(9,9-diphenylfluoren-2-yl)-[4-(9-phenylfluoren-9-yl)phenyl]methyl]dibenzofuran
SMILESc1ccc(C2(c3ccc(C(c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c4cccc5c4oc4ccccc45)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C63H42O/c1-4-19-44(20-5-1)62(55-31-14-10-25-48(55)49-26-11-15-32-56(49)62)47-38-35-42(36-39-47)60(54-30-18-29-53-52-28-13-17-34-59(52)64-61(53)54)43-37-40-51-50-27-12-16-33-57(50)63(58(51)41-43,45-21-6-2-7-22-45)46-23-8-3-9-24-46/h1-41,60H
InChIKeyRYSWMLRCJWERMK-UHFFFAOYSA-N
MW815.03 g/mol
LogP15.49
Rot. Bonds7

About 4-[(9,9-diphenylfluoren-2-yl)-[4-(9-phenylfluoren-9-yl)phenyl]methyl]dibenzofuran

4-[(9,9-diphenylfluoren-2-yl)-[4-(9-phenylfluoren-9-yl)phenyl]methyl]dibenzofuran (PubChem CID 158401172) has the molecular formula C63H42O and a molecular weight of 815.03 g/mol. Its IUPAC name is 4-[(9,9-diphenylfluoren-2-yl)-[4-(9-phenylfluoren-9-yl)phenyl]methyl]dibenzofuran.

Molecular Properties

Compound Name4-[(9,9-diphenylfluoren-2-yl)-[4-(9-phenylfluoren-9-yl)phenyl]methyl]dibenzofuran
PubChem CID158401172
Molecular FormulaC63H42O
Molecular Weight815.03 g/mol
Exact Mass814.32
IUPAC Name4-[(9,9-diphenylfluoren-2-yl)-[4-(9-phenylfluoren-9-yl)phenyl]methyl]dibenzofuran
SMILESc1ccc(C2(c3ccc(C(c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c4cccc5c4oc4ccccc45)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C63H42O/c1-4-19-44(20-5-1)62(55-31-14-10-25-48(55)49-26-11-15-32-56(49)62)47-38-35-42(36-39-47)60(54-30-18-29-53-52-28-13-17-34-59(52)64-61(53)54)43-37-40-51-50-27-12-16-33-57(50)63(58(51)41-43,45-21-6-2-7-22-45)46-23-8-3-9-24-46/h1-41,60H
InChIKeyRYSWMLRCJWERMK-UHFFFAOYSA-N
XLogP15.49
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500815.03
LogP ≤ 515.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

4-[4-[bis(4-phenylphenyl)methyl]-9,9-diphenylfluoren-1-yl]dibenzofuran
CID 154588855
4-(7-dibenzofuran-4-yl-9,9-diphenylfluoren-2-yl)dibenzofuran
CID 135131477
6-(9,9-dimethylfluoren-2-yl)-1-[(9,9-diphenylfluoren-2-yl)-(4-phenylphenyl)methyl]naphtho[2,3-b][1]benzofuran
CID 169295503
N-(2-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)dibenzofuran-4-amine
CID 122675382
9'-[(4-naphthalen-1-ylphenyl)-phenylmethyl]spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]
CID 130266587
2-[(9,9-diphenylfluoren-2-yl)-naphthalen-1-ylmethyl]-6,9,9-triphenylfluorene
CID 142604775
N-[4-[9-(4-dibenzofuran-4-ylphenyl)-9-phenylfluoren-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 164768992
N-dibenzofuran-4-yl-N-(9,9-diphenylfluoren-3-yl)dibenzofuran-4-amine
CID 121424846
N-[4-[9-(4-dibenzofuran-4-ylphenyl)-9-phenylfluoren-2-yl]phenyl]-N,4-diphenylaniline
CID 164769137
buta-1,3-diene;4-[3-(9,9-diphenylfluoren-2-yl)phenyl]dibenzofuran;prop-1-ene
CID 144627482
N-(2-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118298285
2-(2-chloro-9-phenylfluoren-9-yl)dibenzofuran
CID 142745507

Frequently Asked Questions

What is the IUPAC name of 4-[(9,9-diphenylfluoren-2-yl)-[4-(9-phenylfluoren-9-yl)phenyl]methyl]dibenzofuran?
The IUPAC name of 4-[(9,9-diphenylfluoren-2-yl)-[4-(9-phenylfluoren-9-yl)phenyl]methyl]dibenzofuran (CID 158401172) is 4-[(9,9-diphenylfluoren-2-yl)-[4-(9-phenylfluoren-9-yl)phenyl]methyl]dibenzofuran.
What is the SMILES notation for 4-[(9,9-diphenylfluoren-2-yl)-[4-(9-phenylfluoren-9-yl)phenyl]methyl]dibenzofuran?
The canonical SMILES for 4-[(9,9-diphenylfluoren-2-yl)-[4-(9-phenylfluoren-9-yl)phenyl]methyl]dibenzofuran is c1ccc(C2(c3ccc(C(c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c4cccc5c4oc4ccccc45)cc3)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 4-[(9,9-diphenylfluoren-2-yl)-[4-(9-phenylfluoren-9-yl)phenyl]methyl]dibenzofuran?
The InChIKey is RYSWMLRCJWERMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H42O/c1-4-19-44(20-5-1)62(55-31-14-10-25-48(55)49-26-11-15-32-56(49)62)47-38-35-42(36-39-47)60(54-30-18-29-53-52-28-13-17-34-59(52)64-61(53)54)43-37-40-51-50-27-12-16-33-57(50)63(58(51)41-43,45-21-6-2-7-22-45)46-23-8-3-9-24-46/h1-41,60H.
What are the key properties of 4-[(9,9-diphenylfluoren-2-yl)-[4-(9-phenylfluoren-9-yl)phenyl]methyl]dibenzofuran?
4-[(9,9-diphenylfluoren-2-yl)-[4-(9-phenylfluoren-9-yl)phenyl]methyl]dibenzofuran has a molecular weight of 815.03 g/mol, XLogP of 15.49, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(9,9-diphenylfluoren-2-yl)-[4-(9-phenylfluoren-9-yl)phenyl]methyl]dibenzofuran is sourced from PubChem (CID 158401172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).