4-(4-phenylphenyl)-6-triphenylen-2-yldibenzofuran

C42H26O — CID 118651099

IUPAC4-(4-phenylphenyl)-6-triphenylen-2-yldibenzofuran
SMILESc1ccc(-c2ccc(-c3cccc4c3oc3c(-c5ccc6c7ccccc7c7ccccc7c6c5)cccc34)cc2)cc1
InChIInChI=1S/C42H26O/c1-2-10-27(11-3-1)28-20-22-29(23-21-28)31-16-8-18-38-39-19-9-17-32(42(39)43-41(31)38)30-24-25-37-35-14-5-4-12-33(35)34-13-6-7-15-36(34)40(37)26-30/h1-26H
InChIKeyYALJYKXNNVSCFM-UHFFFAOYSA-N
MW546.67 g/mol
LogP12.05
Rot. Bonds3

About 4-(4-phenylphenyl)-6-triphenylen-2-yldibenzofuran

4-(4-phenylphenyl)-6-triphenylen-2-yldibenzofuran (PubChem CID 118651099) has the molecular formula C42H26O and a molecular weight of 546.67 g/mol. Its IUPAC name is 4-(4-phenylphenyl)-6-triphenylen-2-yldibenzofuran.

Molecular Properties

Compound Name4-(4-phenylphenyl)-6-triphenylen-2-yldibenzofuran
PubChem CID118651099
Molecular FormulaC42H26O
Molecular Weight546.67 g/mol
Exact Mass546.20
IUPAC Name4-(4-phenylphenyl)-6-triphenylen-2-yldibenzofuran
SMILESc1ccc(-c2ccc(-c3cccc4c3oc3c(-c5ccc6c7ccccc7c7ccccc7c6c5)cccc34)cc2)cc1
InChIInChI=1S/C42H26O/c1-2-10-27(11-3-1)28-20-22-29(23-21-28)31-16-8-18-38-39-19-9-17-32(42(39)43-41(31)38)30-24-25-37-35-14-5-4-12-33(35)34-13-6-7-15-36(34)40(37)26-30/h1-26H
InChIKeyYALJYKXNNVSCFM-UHFFFAOYSA-N
XLogP12.05
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.67
LogP ≤ 512.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

10-[3-[6-(4-phenylphenyl)dibenzofuran-4-yl]phenyl]phenanthro[9,10-b]pyrazine
CID 88858439
N-[4-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)triphenylen-2-amine
CID 121296513
19-(3-triphenylen-2-ylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 118439443
3,6-bis(6-phenyldibenzofuran-4-yl)-9-(3-triphenylen-2-ylphenyl)carbazole
CID 87156828
4-phenyl-6-[5-[3-(6-triphenylen-2-yldibenzothiophen-4-yl)phenyl]triphenylen-2-yl]dibenzofuran
CID 123691716
2-dibenzofuran-4-yl-4-phenyl-6-(6-triphenylen-2-yldibenzofuran-4-yl)-1,3,5-triazine
CID 166953249
2-[3-(9,10-diphenylanthracen-2-yl)phenyl]-4,6-bis(3-phenylphenyl)dibenzofuran
CID 58262014
4-[4-(6-phenyldibenzofuran-4-yl)phenyl]pyridine
CID 171761226
4-phenyl-N-[4-[3-[4-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 121296601
2,6-diphenyl-4-[4-(6-phenyldibenzofuran-4-yl)phenyl]pyridine
CID 171761157
2,4-diphenyl-6-[4-[8-phenyl-6-(4-phenylphenyl)dibenzofuran-4-yl]phenyl]-1,3,5-triazine
CID 164838394
2,6-diphenyl-4-(3-triphenylen-2-ylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 170397354

Frequently Asked Questions

What is the IUPAC name of 4-(4-phenylphenyl)-6-triphenylen-2-yldibenzofuran?
The IUPAC name of 4-(4-phenylphenyl)-6-triphenylen-2-yldibenzofuran (CID 118651099) is 4-(4-phenylphenyl)-6-triphenylen-2-yldibenzofuran.
What is the SMILES notation for 4-(4-phenylphenyl)-6-triphenylen-2-yldibenzofuran?
The canonical SMILES for 4-(4-phenylphenyl)-6-triphenylen-2-yldibenzofuran is c1ccc(-c2ccc(-c3cccc4c3oc3c(-c5ccc6c7ccccc7c7ccccc7c6c5)cccc34)cc2)cc1.
What is the InChIKey of 4-(4-phenylphenyl)-6-triphenylen-2-yldibenzofuran?
The InChIKey is YALJYKXNNVSCFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26O/c1-2-10-27(11-3-1)28-20-22-29(23-21-28)31-16-8-18-38-39-19-9-17-32(42(39)43-41(31)38)30-24-25-37-35-14-5-4-12-33(35)34-13-6-7-15-36(34)40(37)26-30/h1-26H.
What are the key properties of 4-(4-phenylphenyl)-6-triphenylen-2-yldibenzofuran?
4-(4-phenylphenyl)-6-triphenylen-2-yldibenzofuran has a molecular weight of 546.67 g/mol, XLogP of 12.05, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenylphenyl)-6-triphenylen-2-yldibenzofuran is sourced from PubChem (CID 118651099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).