4-[10-naphthalen-2-yl-2,6-bis(prop-1-en-2-yl)anthracen-9-yl]dibenzofuran

C42H30O — CID 88910899

IUPAC4-[10-naphthalen-2-yl-2,6-bis(prop-1-en-2-yl)anthracen-9-yl]dibenzofuran
SMILESC=C(C)c1ccc2c(-c3cccc4c3oc3ccccc34)c3cc(C(=C)C)ccc3c(-c3ccc4ccccc4c3)c2c1
InChIInChI=1S/C42H30O/c1-25(2)28-19-21-34-37(23-28)40(31-17-16-27-10-5-6-11-30(27)22-31)33-20-18-29(26(3)4)24-38(33)41(34)36-14-9-13-35-32-12-7-8-15-39(32)43-42(35)36/h5-24H,1,3H2,2,4H3
InChIKeyZIHPXYVPLVOIJS-UHFFFAOYSA-N
MW550.70 g/mol
LogP12.45
Rot. Bonds4

About 4-[10-naphthalen-2-yl-2,6-bis(prop-1-en-2-yl)anthracen-9-yl]dibenzofuran

4-[10-naphthalen-2-yl-2,6-bis(prop-1-en-2-yl)anthracen-9-yl]dibenzofuran (PubChem CID 88910899) has the molecular formula C42H30O and a molecular weight of 550.70 g/mol. Its IUPAC name is 4-[10-naphthalen-2-yl-2,6-bis(prop-1-en-2-yl)anthracen-9-yl]dibenzofuran.

Molecular Properties

Compound Name4-[10-naphthalen-2-yl-2,6-bis(prop-1-en-2-yl)anthracen-9-yl]dibenzofuran
PubChem CID88910899
Molecular FormulaC42H30O
Molecular Weight550.70 g/mol
Exact Mass550.23
IUPAC Name4-[10-naphthalen-2-yl-2,6-bis(prop-1-en-2-yl)anthracen-9-yl]dibenzofuran
SMILESC=C(C)c1ccc2c(-c3cccc4c3oc3ccccc34)c3cc(C(=C)C)ccc3c(-c3ccc4ccccc4c3)c2c1
InChIInChI=1S/C42H30O/c1-25(2)28-19-21-34-37(23-28)40(31-17-16-27-10-5-6-11-30(27)22-31)33-20-18-29(26(3)4)24-38(33)41(34)36-14-9-13-35-32-12-7-8-15-39(32)43-42(35)36/h5-24H,1,3H2,2,4H3
InChIKeyZIHPXYVPLVOIJS-UHFFFAOYSA-N
XLogP12.45
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.70
LogP ≤ 512.45
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

4-[10-dibenzofuran-4-yl-2,6-bis(prop-1-en-2-yl)anthracen-9-yl]dibenzofuran
CID 89189228
4-(6-tert-butyl-10-phenanthren-9-yl-2-prop-1-en-2-ylanthracen-9-yl)dibenzofuran
CID 88894497
4-[4-(2,10-dinaphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran
CID 58323570
2-(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran;4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran
CID 165011189
1-[3-(9-dibenzofuran-4-yl-10-phenylanthracen-2-yl)-10-naphthalen-2-ylanthracen-9-yl]dibenzofuran
CID 138749818
4-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran;4-(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran;4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran;4-(10-phenylanthracen-9-yl)dibenzofuran;4-[10-(4-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 158958080
4-[2-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 58050626
6-(10-naphthalen-2-ylanthracen-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 122426775
3-(10-dibenzofuran-4-ylanthracen-9-yl)dibenzofuran
CID 58991746
4-[4-(10-phenanthren-2-ylanthracen-9-yl)naphthalen-1-yl]dibenzofuran
CID 58194573
1-[4-[3-[10-(4-dibenzofuran-4-ylphenyl)-9-naphthalen-2-ylanthracen-2-yl]-10-naphthalen-2-ylanthracen-9-yl]phenyl]dibenzofuran
CID 166671529
4-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzofuran;4-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran;4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran
CID 157062382

Frequently Asked Questions

What is the IUPAC name of 4-[10-naphthalen-2-yl-2,6-bis(prop-1-en-2-yl)anthracen-9-yl]dibenzofuran?
The IUPAC name of 4-[10-naphthalen-2-yl-2,6-bis(prop-1-en-2-yl)anthracen-9-yl]dibenzofuran (CID 88910899) is 4-[10-naphthalen-2-yl-2,6-bis(prop-1-en-2-yl)anthracen-9-yl]dibenzofuran.
What is the SMILES notation for 4-[10-naphthalen-2-yl-2,6-bis(prop-1-en-2-yl)anthracen-9-yl]dibenzofuran?
The canonical SMILES for 4-[10-naphthalen-2-yl-2,6-bis(prop-1-en-2-yl)anthracen-9-yl]dibenzofuran is C=C(C)c1ccc2c(-c3cccc4c3oc3ccccc34)c3cc(C(=C)C)ccc3c(-c3ccc4ccccc4c3)c2c1.
What is the InChIKey of 4-[10-naphthalen-2-yl-2,6-bis(prop-1-en-2-yl)anthracen-9-yl]dibenzofuran?
The InChIKey is ZIHPXYVPLVOIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H30O/c1-25(2)28-19-21-34-37(23-28)40(31-17-16-27-10-5-6-11-30(27)22-31)33-20-18-29(26(3)4)24-38(33)41(34)36-14-9-13-35-32-12-7-8-15-39(32)43-42(35)36/h5-24H,1,3H2,2,4H3.
What are the key properties of 4-[10-naphthalen-2-yl-2,6-bis(prop-1-en-2-yl)anthracen-9-yl]dibenzofuran?
4-[10-naphthalen-2-yl-2,6-bis(prop-1-en-2-yl)anthracen-9-yl]dibenzofuran has a molecular weight of 550.70 g/mol, XLogP of 12.45, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[10-naphthalen-2-yl-2,6-bis(prop-1-en-2-yl)anthracen-9-yl]dibenzofuran is sourced from PubChem (CID 88910899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).