2-[3-[10-(7,8-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]dibenzofuran

C42H28O — CID 88564469

IUPAC2-[3-[10-(7,8-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]dibenzofuran
SMILESC1=Cc2ccc(-c3c4ccccc4c(-c4cccc(-c5ccc6oc7ccccc7c6c5)c4)c4ccccc34)cc2CC1
InChIInChI=1S/C42H28O/c1-2-11-28-24-32(21-20-27(28)10-1)42-36-17-5-3-15-34(36)41(35-16-4-6-18-37(35)42)31-13-9-12-29(25-31)30-22-23-40-38(26-30)33-14-7-8-19-39(33)43-40/h1,3-10,12-26H,2,11H2
InChIKeySFHPGNNDXLRYHL-UHFFFAOYSA-N
MW548.69 g/mol
LogP11.85
Rot. Bonds3

About 2-[3-[10-(7,8-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]dibenzofuran

2-[3-[10-(7,8-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]dibenzofuran (PubChem CID 88564469) has the molecular formula C42H28O and a molecular weight of 548.69 g/mol. Its IUPAC name is 2-[3-[10-(7,8-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]dibenzofuran.

Molecular Properties

Compound Name2-[3-[10-(7,8-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]dibenzofuran
PubChem CID88564469
Molecular FormulaC42H28O
Molecular Weight548.69 g/mol
Exact Mass548.21
IUPAC Name2-[3-[10-(7,8-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]dibenzofuran
SMILESC1=Cc2ccc(-c3c4ccccc4c(-c4cccc(-c5ccc6oc7ccccc7c6c5)c4)c4ccccc34)cc2CC1
InChIInChI=1S/C42H28O/c1-2-11-28-24-32(21-20-27(28)10-1)42-36-17-5-3-15-34(36)41(35-16-4-6-18-37(35)42)31-13-9-12-29(25-31)30-22-23-40-38(26-30)33-14-7-8-19-39(33)43-40/h1,3-10,12-26H,2,11H2
InChIKeySFHPGNNDXLRYHL-UHFFFAOYSA-N
XLogP11.85
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.69
LogP ≤ 511.85
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

2-[10-[3-(5,6-dihydronaphthalen-2-yl)phenyl]anthracen-9-yl]dibenzofuran
CID 155714690
2-[10-[2-(7,8-dihydronaphthalen-2-yl)phenyl]anthracen-9-yl]dibenzofuran
CID 145436557
3-[4-[3-[10-(7,8-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]phenyl]-5-methylpyridine
CID 88554453
2-[8-(7,8-dihydronaphthalen-2-yl)dibenzofuran-3-yl]-3-phenylquinoxaline
CID 167403149
6-[3-(10-phenylanthracen-9-yl)phenyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
CID 122415782
2-[2,6,10-tri(dibenzofuran-2-yl)anthracen-9-yl]dibenzofuran
CID 143933892
2-[3-(10-phenanthren-3-ylanthracen-9-yl)phenyl]dibenzofuran
CID 58194595
2-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]dibenzofuran
CID 135208803
9-[3-(5,6-dihydronaphthalen-2-yl)phenyl]-2,10-diphenylanthracene
CID 168993984
2-[3-(9,10-diphenylanthracen-2-yl)-5-(3-phenylphenyl)phenyl]dibenzofuran
CID 58261864
2-[9-[3-(1,2-dihydrophenanthren-9-yl)phenyl]-10-(3-phenanthren-9-ylphenyl)-7,8-dihydroanthracen-2-yl]dibenzofuran
CID 146668989
2-dibenzofuran-1-yl-4-[3-(7,8-dihydronaphthalen-2-yl)-4-phenylphenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 170020099

Frequently Asked Questions

What is the IUPAC name of 2-[3-[10-(7,8-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]dibenzofuran?
The IUPAC name of 2-[3-[10-(7,8-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]dibenzofuran (CID 88564469) is 2-[3-[10-(7,8-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]dibenzofuran.
What is the SMILES notation for 2-[3-[10-(7,8-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]dibenzofuran?
The canonical SMILES for 2-[3-[10-(7,8-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]dibenzofuran is C1=Cc2ccc(-c3c4ccccc4c(-c4cccc(-c5ccc6oc7ccccc7c6c5)c4)c4ccccc34)cc2CC1.
What is the InChIKey of 2-[3-[10-(7,8-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]dibenzofuran?
The InChIKey is SFHPGNNDXLRYHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28O/c1-2-11-28-24-32(21-20-27(28)10-1)42-36-17-5-3-15-34(36)41(35-16-4-6-18-37(35)42)31-13-9-12-29(25-31)30-22-23-40-38(26-30)33-14-7-8-19-39(33)43-40/h1,3-10,12-26H,2,11H2.
What are the key properties of 2-[3-[10-(7,8-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]dibenzofuran?
2-[3-[10-(7,8-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]dibenzofuran has a molecular weight of 548.69 g/mol, XLogP of 11.85, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[10-(7,8-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]dibenzofuran is sourced from PubChem (CID 88564469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).