6-(10-phenylanthracen-9-yl)-1,2-dihydrodibenzofuran

C32H22O — CID 87631578

IUPAC6-(10-phenylanthracen-9-yl)-1,2-dihydrodibenzofuran
SMILESC1=Cc2oc3c(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cccc3c2CC1
InChIInChI=1S/C32H22O/c1-2-11-21(12-3-1)30-23-14-4-6-16-25(23)31(26-17-7-5-15-24(26)30)28-19-10-18-27-22-13-8-9-20-29(22)33-32(27)28/h1-7,9-12,14-20H,8,13H2
InChIKeyMRKZHHUVMAFTMR-UHFFFAOYSA-N
MW422.53 g/mol
LogP9.03
Rot. Bonds2

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

6-(10-phenylanthracen-9-yl)-1,2-dihydrodibenzofuran (PubChem CID 87631578) has the molecular formula C32H22O and a molecular weight of 422.53 g/mol. Its IUPAC name is 6-(10-phenylanthracen-9-yl)-1,2-dihydrodibenzofuran.

Molecular Properties

Compound Name6-(10-phenylanthracen-9-yl)-1,2-dihydrodibenzofuran
PubChem CID87631578
Molecular FormulaC32H22O
Molecular Weight422.53 g/mol
Exact Mass422.17
IUPAC Name6-(10-phenylanthracen-9-yl)-1,2-dihydrodibenzofuran
SMILESC1=Cc2oc3c(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cccc3c2CC1
InChIInChI=1S/C32H22O/c1-2-11-21(12-3-1)30-23-14-4-6-16-25(23)31(26-17-7-5-15-24(26)30)28-19-10-18-27-22-13-8-9-20-29(22)33-32(27)28/h1-7,9-12,14-20H,8,13H2
InChIKeyMRKZHHUVMAFTMR-UHFFFAOYSA-N
XLogP9.03
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.53
LogP ≤ 59.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-(10-pyren-1-ylanthracen-9-yl)-1,2-dihydrodibenzofuran
CID 88564296
9-(3,10-diphenylanthracen-9-yl)-1,2-dihydrodibenzofuran
CID 175630373
9-[10-(8,9-dihydrodibenzofuran-4-yl)phenanthren-9-yl]fluoren-9-ol
CID 163459929
11-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),6,10,12,14,16,18-octaene
CID 88995013
2-[3-(8,9-dihydrodibenzofuran-4-yl)phenyl]-3-(2,4,6-trimethylphenyl)phenanthro[9,10-b]pyrazine
CID 88905815
5-(10-phenyl-1,2-dihydroanthracen-9-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene
CID 174288134
6-bromo-1,2-dihydrodibenzofuran
CID 121420689
10-[6-(10-phenyl-3,4-dihydroanthracen-9-yl)dibenzofuran-2-yl]anthracen-9-ol
CID 163725515
9-(3-anthracen-9-ylphenyl)-3-(8,9-dihydrodibenzofuran-4-yl)carbazole
CID 87171652
4-[4-[8-[4-(8,9-dihydrodibenzofuran-4-yl)phenyl]pyren-1-yl]phenyl]dibenzofuran
CID 88912607
7-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]-1,2-dihydronaphtho[1,2-b][1]benzofuran
CID 155205865
9-phenyl-10-(4-phenyl-5,6-dihydronaphthalen-1-yl)anthracene
CID 164717350

Frequently Asked Questions

What is the IUPAC name of 6-(10-phenylanthracen-9-yl)-1,2-dihydrodibenzofuran?
The IUPAC name of 6-(10-phenylanthracen-9-yl)-1,2-dihydrodibenzofuran (CID 87631578) is 6-(10-phenylanthracen-9-yl)-1,2-dihydrodibenzofuran.
What is the SMILES notation for 6-(10-phenylanthracen-9-yl)-1,2-dihydrodibenzofuran?
The canonical SMILES for 6-(10-phenylanthracen-9-yl)-1,2-dihydrodibenzofuran is C1=Cc2oc3c(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cccc3c2CC1.
What is the InChIKey of 6-(10-phenylanthracen-9-yl)-1,2-dihydrodibenzofuran?
The InChIKey is MRKZHHUVMAFTMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22O/c1-2-11-21(12-3-1)30-23-14-4-6-16-25(23)31(26-17-7-5-15-24(26)30)28-19-10-18-27-22-13-8-9-20-29(22)33-32(27)28/h1-7,9-12,14-20H,8,13H2.
What are the key properties of 6-(10-phenylanthracen-9-yl)-1,2-dihydrodibenzofuran?
6-(10-phenylanthracen-9-yl)-1,2-dihydrodibenzofuran has a molecular weight of 422.53 g/mol, XLogP of 9.03, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(10-phenylanthracen-9-yl)-1,2-dihydrodibenzofuran is sourced from PubChem (CID 87631578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).