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

C42H28O — CID 145436557

IUPAC2-[10-[2-(7,8-dihydronaphthalen-2-yl)phenyl]anthracen-9-yl]dibenzofuran
SMILESC1=Cc2ccc(-c3ccccc3-c3c4ccccc4c(-c4ccc5oc6ccccc6c5c4)c4ccccc34)cc2CC1
InChIInChI=1S/C42H28O/c1-2-12-28-25-29(22-21-27(28)11-1)31-13-3-4-15-33(31)42-36-18-7-5-16-34(36)41(35-17-6-8-19-37(35)42)30-23-24-40-38(26-30)32-14-9-10-20-39(32)43-40/h1,3-11,13-26H,2,12H2
InChIKeyGOSAKYPEDAHCNG-UHFFFAOYSA-N
MW548.69 g/mol
LogP11.85
Rot. Bonds3

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

2-[10-[2-(7,8-dihydronaphthalen-2-yl)phenyl]anthracen-9-yl]dibenzofuran (PubChem CID 145436557) has the molecular formula C42H28O and a molecular weight of 548.69 g/mol. Its IUPAC name is 2-[10-[2-(7,8-dihydronaphthalen-2-yl)phenyl]anthracen-9-yl]dibenzofuran.

Molecular Properties

Compound Name2-[10-[2-(7,8-dihydronaphthalen-2-yl)phenyl]anthracen-9-yl]dibenzofuran
PubChem CID145436557
Molecular FormulaC42H28O
Molecular Weight548.69 g/mol
Exact Mass548.21
IUPAC Name2-[10-[2-(7,8-dihydronaphthalen-2-yl)phenyl]anthracen-9-yl]dibenzofuran
SMILESC1=Cc2ccc(-c3ccccc3-c3c4ccccc4c(-c4ccc5oc6ccccc6c5c4)c4ccccc34)cc2CC1
InChIInChI=1S/C42H28O/c1-2-12-28-25-29(22-21-27(28)11-1)31-13-3-4-15-33(31)42-36-18-7-5-16-34(36)41(35-17-6-8-19-37(35)42)30-23-24-40-38(26-30)32-14-9-10-20-39(32)43-40/h1,3-11,13-26H,2,12H2
InChIKeyGOSAKYPEDAHCNG-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-[3-[10-(7,8-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]dibenzofuran
CID 88564469
2-[10-[3-(5,6-dihydronaphthalen-2-yl)phenyl]anthracen-9-yl]dibenzofuran
CID 155714690
2-[2-[10-(4-dibenzofuran-2-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 58536204
2-[2-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 58536112
2-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 58050596
2-[8-(7,8-dihydronaphthalen-2-yl)dibenzofuran-3-yl]-3-phenylquinoxaline
CID 167403149
2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran
CID 58151301
7-[10-(2-phenylphenyl)-3,4-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 144583429
8-(7,8-dihydronaphthalen-2-yl)-16-naphthalen-2-yl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaene
CID 71058981
2-[2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]dibenzofuran
CID 174296945
2-[3-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran
CID 162491053
7-[10-(2-phenylphenyl)anthracen-9-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 170654309

Frequently Asked Questions

What is the IUPAC name of 2-[10-[2-(7,8-dihydronaphthalen-2-yl)phenyl]anthracen-9-yl]dibenzofuran?
The IUPAC name of 2-[10-[2-(7,8-dihydronaphthalen-2-yl)phenyl]anthracen-9-yl]dibenzofuran (CID 145436557) is 2-[10-[2-(7,8-dihydronaphthalen-2-yl)phenyl]anthracen-9-yl]dibenzofuran.
What is the SMILES notation for 2-[10-[2-(7,8-dihydronaphthalen-2-yl)phenyl]anthracen-9-yl]dibenzofuran?
The canonical SMILES for 2-[10-[2-(7,8-dihydronaphthalen-2-yl)phenyl]anthracen-9-yl]dibenzofuran is C1=Cc2ccc(-c3ccccc3-c3c4ccccc4c(-c4ccc5oc6ccccc6c5c4)c4ccccc34)cc2CC1.
What is the InChIKey of 2-[10-[2-(7,8-dihydronaphthalen-2-yl)phenyl]anthracen-9-yl]dibenzofuran?
The InChIKey is GOSAKYPEDAHCNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28O/c1-2-12-28-25-29(22-21-27(28)11-1)31-13-3-4-15-33(31)42-36-18-7-5-16-34(36)41(35-17-6-8-19-37(35)42)30-23-24-40-38(26-30)32-14-9-10-20-39(32)43-40/h1,3-11,13-26H,2,12H2.
What are the key properties of 2-[10-[2-(7,8-dihydronaphthalen-2-yl)phenyl]anthracen-9-yl]dibenzofuran?
2-[10-[2-(7,8-dihydronaphthalen-2-yl)phenyl]anthracen-9-yl]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-[10-[2-(7,8-dihydronaphthalen-2-yl)phenyl]anthracen-9-yl]dibenzofuran is sourced from PubChem (CID 145436557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).