4-[4-[4-[[4-[4-(9H-fluoren-1-yl)phenyl]phenyl]-(4-phenylphenyl)methyl]phenyl]phenyl]dibenzofuran

C62H42O — CID 155609485

IUPAC4-[4-[4-[[4-[4-(9H-fluoren-1-yl)phenyl]phenyl]-(4-phenylphenyl)methyl]phenyl]phenyl]dibenzofuran
SMILESc1ccc(-c2ccc(C(c3ccc(-c4ccc(-c5cccc6c5Cc5ccccc5-6)cc4)cc3)c3ccc(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)cc3)cc2)cc1
InChIInChI=1S/C62H42O/c1-2-10-41(11-3-1)42-24-34-49(35-25-42)61(50-36-26-45(27-37-50)43-20-30-47(31-21-43)53-15-8-17-56-54-13-5-4-12-52(54)40-59(53)56)51-38-28-46(29-39-51)44-22-32-48(33-23-44)55-16-9-18-58-57-14-6-7-19-60(57)63-62(55)58/h1-39,61H,40H2
InChIKeyDJGOOLMDMTXOLH-UHFFFAOYSA-N
MW803.02 g/mol
LogP16.67
Rot. Bonds8

About 4-[4-[4-[[4-[4-(9H-fluoren-1-yl)phenyl]phenyl]-(4-phenylphenyl)methyl]phenyl]phenyl]dibenzofuran

4-[4-[4-[[4-[4-(9H-fluoren-1-yl)phenyl]phenyl]-(4-phenylphenyl)methyl]phenyl]phenyl]dibenzofuran (PubChem CID 155609485) has the molecular formula C62H42O and a molecular weight of 803.02 g/mol. Its IUPAC name is 4-[4-[4-[[4-[4-(9H-fluoren-1-yl)phenyl]phenyl]-(4-phenylphenyl)methyl]phenyl]phenyl]dibenzofuran.

Molecular Properties

Compound Name4-[4-[4-[[4-[4-(9H-fluoren-1-yl)phenyl]phenyl]-(4-phenylphenyl)methyl]phenyl]phenyl]dibenzofuran
PubChem CID155609485
Molecular FormulaC62H42O
Molecular Weight803.02 g/mol
Exact Mass802.32
IUPAC Name4-[4-[4-[[4-[4-(9H-fluoren-1-yl)phenyl]phenyl]-(4-phenylphenyl)methyl]phenyl]phenyl]dibenzofuran
SMILESc1ccc(-c2ccc(C(c3ccc(-c4ccc(-c5cccc6c5Cc5ccccc5-6)cc4)cc3)c3ccc(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)cc3)cc2)cc1
InChIInChI=1S/C62H42O/c1-2-10-41(11-3-1)42-24-34-49(35-25-42)61(50-36-26-45(27-37-50)43-20-30-47(31-21-43)53-15-8-17-56-54-13-5-4-12-52(54)40-59(53)56)51-38-28-46(29-39-51)44-22-32-48(33-23-44)55-16-9-18-58-57-14-6-7-19-60(57)63-62(55)58/h1-39,61H,40H2
InChIKeyDJGOOLMDMTXOLH-UHFFFAOYSA-N
XLogP16.67
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 ≤ 516.67
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

N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9H-fluoren-1-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 138548317
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
dibenzofuran;1-phenyl-9H-fluorene
CID 175545610
N-(4-dibenzofuran-4-ylphenyl)-3-(9H-fluoren-1-yl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 146516973
4-[3-[4-[bis(4-phenylphenyl)methyl]phenyl]phenyl]dibenzofuran
CID 168845323
4-[3-[3-[bis[4-(4-phenylphenyl)phenyl]methyl]phenyl]phenyl]dibenzofuran
CID 59137078
4-[3-dibenzofuran-4-yl-5-(9H-fluoren-1-yl)phenyl]-2,6-diphenylpyrimidine
CID 164945010
4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-2-[4-(15-thiapentacyclo[21.4.0.02,7.09,14.016,21]heptacosa-1(27),2,4,6,9,11,13,16,18,20,23,25-dodecaen-6-yl)phenyl]pyrimidine
CID 155068076
4-[4-[1-(4-phenylphenyl)ethyl]phenyl]dibenzofuran
CID 174178014
10-phenyl-12H-fluoreno[1,2-b][1]benzofuran
CID 164962558
4-[4-[phenanthren-9-yl-[4-(4-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran
CID 59136825

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-[[4-[4-(9H-fluoren-1-yl)phenyl]phenyl]-(4-phenylphenyl)methyl]phenyl]phenyl]dibenzofuran?
The IUPAC name of 4-[4-[4-[[4-[4-(9H-fluoren-1-yl)phenyl]phenyl]-(4-phenylphenyl)methyl]phenyl]phenyl]dibenzofuran (CID 155609485) is 4-[4-[4-[[4-[4-(9H-fluoren-1-yl)phenyl]phenyl]-(4-phenylphenyl)methyl]phenyl]phenyl]dibenzofuran.
What is the SMILES notation for 4-[4-[4-[[4-[4-(9H-fluoren-1-yl)phenyl]phenyl]-(4-phenylphenyl)methyl]phenyl]phenyl]dibenzofuran?
The canonical SMILES for 4-[4-[4-[[4-[4-(9H-fluoren-1-yl)phenyl]phenyl]-(4-phenylphenyl)methyl]phenyl]phenyl]dibenzofuran is c1ccc(-c2ccc(C(c3ccc(-c4ccc(-c5cccc6c5Cc5ccccc5-6)cc4)cc3)c3ccc(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)cc3)cc2)cc1.
What is the InChIKey of 4-[4-[4-[[4-[4-(9H-fluoren-1-yl)phenyl]phenyl]-(4-phenylphenyl)methyl]phenyl]phenyl]dibenzofuran?
The InChIKey is DJGOOLMDMTXOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H42O/c1-2-10-41(11-3-1)42-24-34-49(35-25-42)61(50-36-26-45(27-37-50)43-20-30-47(31-21-43)53-15-8-17-56-54-13-5-4-12-52(54)40-59(53)56)51-38-28-46(29-39-51)44-22-32-48(33-23-44)55-16-9-18-58-57-14-6-7-19-60(57)63-62(55)58/h1-39,61H,40H2.
What are the key properties of 4-[4-[4-[[4-[4-(9H-fluoren-1-yl)phenyl]phenyl]-(4-phenylphenyl)methyl]phenyl]phenyl]dibenzofuran?
4-[4-[4-[[4-[4-(9H-fluoren-1-yl)phenyl]phenyl]-(4-phenylphenyl)methyl]phenyl]phenyl]dibenzofuran has a molecular weight of 803.02 g/mol, XLogP of 16.67, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-[[4-[4-(9H-fluoren-1-yl)phenyl]phenyl]-(4-phenylphenyl)methyl]phenyl]phenyl]dibenzofuran is sourced from PubChem (CID 155609485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).