4-[4-[bis(4-phenylphenyl)methyl]-9,9-diphenylfluoren-1-yl]dibenzofuran

C62H42O — CID 154588855

IUPAC4-[4-[bis(4-phenylphenyl)methyl]-9,9-diphenylfluoren-1-yl]dibenzofuran
SMILESc1ccc(-c2ccc(C(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5c4oc4ccccc45)c4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C62H42O/c1-5-18-42(19-6-1)44-32-36-46(37-33-44)58(47-38-34-45(35-39-47)43-20-7-2-8-21-43)55-41-40-51(53-29-17-28-52-50-26-14-16-31-57(50)63-61(52)53)60-59(55)54-27-13-15-30-56(54)62(60,48-22-9-3-10-23-48)49-24-11-4-12-25-49/h1-41,58H
InChIKeyQDFVGIHGFXRPGV-UHFFFAOYSA-N
MW803.02 g/mol
LogP16.13
Rot. Bonds8

About 4-[4-[bis(4-phenylphenyl)methyl]-9,9-diphenylfluoren-1-yl]dibenzofuran

4-[4-[bis(4-phenylphenyl)methyl]-9,9-diphenylfluoren-1-yl]dibenzofuran (PubChem CID 154588855) has the molecular formula C62H42O and a molecular weight of 803.02 g/mol. Its IUPAC name is 4-[4-[bis(4-phenylphenyl)methyl]-9,9-diphenylfluoren-1-yl]dibenzofuran.

Molecular Properties

Compound Name4-[4-[bis(4-phenylphenyl)methyl]-9,9-diphenylfluoren-1-yl]dibenzofuran
PubChem CID154588855
Molecular FormulaC62H42O
Molecular Weight803.02 g/mol
Exact Mass802.32
IUPAC Name4-[4-[bis(4-phenylphenyl)methyl]-9,9-diphenylfluoren-1-yl]dibenzofuran
SMILESc1ccc(-c2ccc(C(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5c4oc4ccccc45)c4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C62H42O/c1-5-18-42(19-6-1)44-32-36-46(37-33-44)58(47-38-34-45(35-39-47)43-20-7-2-8-21-43)55-41-40-51(53-29-17-28-52-50-26-14-16-31-57(50)63-61(52)53)60-59(55)54-27-13-15-30-56(54)62(60,48-22-9-3-10-23-48)49-24-11-4-12-25-49/h1-41,58H
InChIKeyQDFVGIHGFXRPGV-UHFFFAOYSA-N
XLogP16.13
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500803.02
LogP ≤ 516.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-[4-[bis(4-phenylphenyl)methyl]-9,9-diphenylfluoren-1-yl]dibenzofuran with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(9,9-diphenylfluoren-2-yl)-[4-(9-phenylfluoren-9-yl)phenyl]methyl]dibenzofuran
CID 158401172
4-[4-[3-[(4-phenylnaphthalen-1-yl)-[4-(4-phenylphenyl)phenyl]methyl]phenyl]phenyl]dibenzofuran
CID 59136822
N-(2-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 146251247
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-[4-[bis(4-phenylphenyl)methyl]phenyl]phenyl]dibenzofuran
CID 168845323
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 121381438
4-(7-dibenzofuran-4-yl-9,9-diphenylfluoren-2-yl)dibenzofuran
CID 135131477
N-(2-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118298285
9-(4-dibenzofuran-4-ylphenyl)-N,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine
CID 164769017
4-[4-[phenanthren-9-yl-[4-(4-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran
CID 59136825
1-[(9,9-dimethylfluoren-4-yl)-[4-(4-phenylphenyl)phenyl]methyl]dibenzofuran
CID 145360755

Frequently Asked Questions

What is the IUPAC name of 4-[4-[bis(4-phenylphenyl)methyl]-9,9-diphenylfluoren-1-yl]dibenzofuran?
The IUPAC name of 4-[4-[bis(4-phenylphenyl)methyl]-9,9-diphenylfluoren-1-yl]dibenzofuran (CID 154588855) is 4-[4-[bis(4-phenylphenyl)methyl]-9,9-diphenylfluoren-1-yl]dibenzofuran.
What is the SMILES notation for 4-[4-[bis(4-phenylphenyl)methyl]-9,9-diphenylfluoren-1-yl]dibenzofuran?
The canonical SMILES for 4-[4-[bis(4-phenylphenyl)methyl]-9,9-diphenylfluoren-1-yl]dibenzofuran is c1ccc(-c2ccc(C(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5c4oc4ccccc45)c4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)cc2)cc1.
What is the InChIKey of 4-[4-[bis(4-phenylphenyl)methyl]-9,9-diphenylfluoren-1-yl]dibenzofuran?
The InChIKey is QDFVGIHGFXRPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H42O/c1-5-18-42(19-6-1)44-32-36-46(37-33-44)58(47-38-34-45(35-39-47)43-20-7-2-8-21-43)55-41-40-51(53-29-17-28-52-50-26-14-16-31-57(50)63-61(52)53)60-59(55)54-27-13-15-30-56(54)62(60,48-22-9-3-10-23-48)49-24-11-4-12-25-49/h1-41,58H.
What are the key properties of 4-[4-[bis(4-phenylphenyl)methyl]-9,9-diphenylfluoren-1-yl]dibenzofuran?
4-[4-[bis(4-phenylphenyl)methyl]-9,9-diphenylfluoren-1-yl]dibenzofuran has a molecular weight of 803.02 g/mol, XLogP of 16.13, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[bis(4-phenylphenyl)methyl]-9,9-diphenylfluoren-1-yl]dibenzofuran is sourced from PubChem (CID 154588855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).