6-(10-pyren-1-ylanthracen-9-yl)-1,2-dihydrodibenzofuran

C42H26O — CID 88564296

IUPAC6-(10-pyren-1-ylanthracen-9-yl)-1,2-dihydrodibenzofuran
SMILESC1=Cc2oc3c(-c4c5ccccc5c(-c5ccc6ccc7cccc8ccc5c6c78)c5ccccc45)cccc3c2CC1
InChIInChI=1S/C42H26O/c1-3-14-31-29(12-1)40(34-24-22-27-20-19-25-9-7-10-26-21-23-33(34)39(27)38(25)26)30-13-2-4-15-32(30)41(31)36-17-8-16-35-28-11-5-6-18-37(28)43-42(35)36/h1-4,6-10,12-24H,5,11H2
InChIKeyUZSCPSDPMZUCGW-UHFFFAOYSA-N
MW546.67 g/mol
LogP11.93
Rot. Bonds2

About 6-(10-pyren-1-ylanthracen-9-yl)-1,2-dihydrodibenzofuran

6-(10-pyren-1-ylanthracen-9-yl)-1,2-dihydrodibenzofuran (PubChem CID 88564296) has the molecular formula C42H26O and a molecular weight of 546.67 g/mol. Its IUPAC name is 6-(10-pyren-1-ylanthracen-9-yl)-1,2-dihydrodibenzofuran.

Molecular Properties

Compound Name6-(10-pyren-1-ylanthracen-9-yl)-1,2-dihydrodibenzofuran
PubChem CID88564296
Molecular FormulaC42H26O
Molecular Weight546.67 g/mol
Exact Mass546.20
IUPAC Name6-(10-pyren-1-ylanthracen-9-yl)-1,2-dihydrodibenzofuran
SMILESC1=Cc2oc3c(-c4c5ccccc5c(-c5ccc6ccc7cccc8ccc5c6c78)c5ccccc45)cccc3c2CC1
InChIInChI=1S/C42H26O/c1-3-14-31-29(12-1)40(34-24-22-27-20-19-25-9-7-10-26-21-23-33(34)39(27)38(25)26)30-13-2-4-15-32(30)41(31)36-17-8-16-35-28-11-5-6-18-37(28)43-42(35)36/h1-4,6-10,12-24H,5,11H2
InChIKeyUZSCPSDPMZUCGW-UHFFFAOYSA-N
XLogP11.93
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.67
LogP ≤ 511.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

4-[4-[8-[4-(8,9-dihydrodibenzofuran-4-yl)phenyl]pyren-1-yl]phenyl]dibenzofuran
CID 88912607
6-(10-phenylanthracen-9-yl)-1,2-dihydrodibenzofuran
CID 87631578
9-[10-(8,9-dihydrodibenzofuran-4-yl)phenanthren-9-yl]fluoren-9-ol
CID 163459929
13-pyren-1-ylpentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaene
CID 145350843
6-bromo-1,2-dihydrodibenzofuran
CID 121420689
2-[3-(8,9-dihydrodibenzofuran-4-yl)phenyl]-3-(2,4,6-trimethylphenyl)phenanthro[9,10-b]pyrazine
CID 88905815
1-[10-(2-pyren-1-ylphenyl)anthracen-9-yl]dibenzofuran
CID 155454341
9-(3,10-diphenylanthracen-9-yl)-1,2-dihydrodibenzofuran
CID 175630373
N-[4-(8,9-dihydrodibenzofuran-4-yl)phenyl]-2-(2-naphthalen-2-ylphenyl)-N-(3-naphthalen-2-ylphenyl)aniline
CID 170092461
9-(3-anthracen-9-ylphenyl)-3-(8,9-dihydrodibenzofuran-4-yl)carbazole
CID 87171652
4-(10-phenanthren-4-ylanthracen-9-yl)-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene
CID 177265069
8,9-dihydrodibenzofuran-4-ylboronic acid
CID 123567559

Frequently Asked Questions

What is the IUPAC name of 6-(10-pyren-1-ylanthracen-9-yl)-1,2-dihydrodibenzofuran?
The IUPAC name of 6-(10-pyren-1-ylanthracen-9-yl)-1,2-dihydrodibenzofuran (CID 88564296) is 6-(10-pyren-1-ylanthracen-9-yl)-1,2-dihydrodibenzofuran.
What is the SMILES notation for 6-(10-pyren-1-ylanthracen-9-yl)-1,2-dihydrodibenzofuran?
The canonical SMILES for 6-(10-pyren-1-ylanthracen-9-yl)-1,2-dihydrodibenzofuran is C1=Cc2oc3c(-c4c5ccccc5c(-c5ccc6ccc7cccc8ccc5c6c78)c5ccccc45)cccc3c2CC1.
What is the InChIKey of 6-(10-pyren-1-ylanthracen-9-yl)-1,2-dihydrodibenzofuran?
The InChIKey is UZSCPSDPMZUCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26O/c1-3-14-31-29(12-1)40(34-24-22-27-20-19-25-9-7-10-26-21-23-33(34)39(27)38(25)26)30-13-2-4-15-32(30)41(31)36-17-8-16-35-28-11-5-6-18-37(28)43-42(35)36/h1-4,6-10,12-24H,5,11H2.
What are the key properties of 6-(10-pyren-1-ylanthracen-9-yl)-1,2-dihydrodibenzofuran?
6-(10-pyren-1-ylanthracen-9-yl)-1,2-dihydrodibenzofuran has a molecular weight of 546.67 g/mol, XLogP of 11.93, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(10-pyren-1-ylanthracen-9-yl)-1,2-dihydrodibenzofuran is sourced from PubChem (CID 88564296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).