4-(10-cyclohexa-2,4-dien-1-ylanthracen-9-yl)-1-naphthalen-1-yldibenzofuran

C42H28O — CID 155028273

IUPAC4-(10-cyclohexa-2,4-dien-1-ylanthracen-9-yl)-1-naphthalen-1-yldibenzofuran
SMILESC1=CCC(c2c3ccccc3c(-c3ccc(-c4cccc5ccccc45)c4c3oc3ccccc34)c3ccccc23)C=C1
InChIInChI=1S/C42H28O/c1-2-14-28(15-3-1)39-31-18-6-8-20-33(31)40(34-21-9-7-19-32(34)39)37-26-25-35(30-23-12-16-27-13-4-5-17-29(27)30)41-36-22-10-11-24-38(36)43-42(37)41/h1-14,16-26,28H,15H2
InChIKeyNOCKGCYBVXYNMP-UHFFFAOYSA-N
MW548.69 g/mol
LogP11.98
Rot. Bonds3

About 4-(10-cyclohexa-2,4-dien-1-ylanthracen-9-yl)-1-naphthalen-1-yldibenzofuran

4-(10-cyclohexa-2,4-dien-1-ylanthracen-9-yl)-1-naphthalen-1-yldibenzofuran (PubChem CID 155028273) has the molecular formula C42H28O and a molecular weight of 548.69 g/mol. Its IUPAC name is 4-(10-cyclohexa-2,4-dien-1-ylanthracen-9-yl)-1-naphthalen-1-yldibenzofuran.

Molecular Properties

Compound Name4-(10-cyclohexa-2,4-dien-1-ylanthracen-9-yl)-1-naphthalen-1-yldibenzofuran
PubChem CID155028273
Molecular FormulaC42H28O
Molecular Weight548.69 g/mol
Exact Mass548.21
IUPAC Name4-(10-cyclohexa-2,4-dien-1-ylanthracen-9-yl)-1-naphthalen-1-yldibenzofuran
SMILESC1=CCC(c2c3ccccc3c(-c3ccc(-c4cccc5ccccc45)c4c3oc3ccccc34)c3ccccc23)C=C1
InChIInChI=1S/C42H28O/c1-2-14-28(15-3-1)39-31-18-6-8-20-33(31)40(34-21-9-7-19-32(34)39)37-26-25-35(30-23-12-16-27-13-4-5-17-29(27)30)41-36-22-10-11-24-38(36)43-42(37)41/h1-14,16-26,28H,15H2
InChIKeyNOCKGCYBVXYNMP-UHFFFAOYSA-N
XLogP11.98
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 ≤ 511.98
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-cyclohexa-2,4-dien-1-yl-4-[4-(4-naphthalen-1-yldibenzofuran-1-yl)naphthalen-1-yl]-6-phenyl-1,3,5-triazine
CID 166742903
4-naphthalen-1-yl-1-(10-phenylanthracen-9-yl)dibenzofuran
CID 138749852
4-naphthalen-1-yl-1-[10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 155335016
4-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]-1-[4-[3-phenyl-4-[10-(1-phenyldibenzofuran-4-yl)anthracen-9-yl]phenyl]phenyl]dibenzofuran
CID 155454220
1-(10-naphthalen-1-yl-2,3-diphenylanthracen-9-yl)-4-phenyldibenzofuran
CID 168795933
2-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene
CID 162712152
11-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-9,15-dioxahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1,3,5,7,10,12,14(22),16,18,20,23-undecaene
CID 130213598
4-[4-[10-(4-dibenzofuran-1-ylphenyl)anthracen-9-yl]-3-phenylphenyl]-1-[4-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 148826059
2-[4-(10-cyclohexa-2,4-dien-1-ylanthracen-9-yl)-9H-fluoren-1-yl]dibenzofuran
CID 163771595
12-cyclohexa-2,4-dien-1-yl-4-methyl-7-phenylbenzo[k]fluoranthene
CID 143872518
4-[4-[10-(4-dibenzofuran-1-ylnaphthalen-1-yl)anthracen-9-yl]naphthalen-1-yl]-1-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran
CID 154970869
1-(5-naphthalen-1-yl-8-phenylbenzo[10]annulen-12-yl)dibenzofuran
CID 171421142

Frequently Asked Questions

What is the IUPAC name of 4-(10-cyclohexa-2,4-dien-1-ylanthracen-9-yl)-1-naphthalen-1-yldibenzofuran?
The IUPAC name of 4-(10-cyclohexa-2,4-dien-1-ylanthracen-9-yl)-1-naphthalen-1-yldibenzofuran (CID 155028273) is 4-(10-cyclohexa-2,4-dien-1-ylanthracen-9-yl)-1-naphthalen-1-yldibenzofuran.
What is the SMILES notation for 4-(10-cyclohexa-2,4-dien-1-ylanthracen-9-yl)-1-naphthalen-1-yldibenzofuran?
The canonical SMILES for 4-(10-cyclohexa-2,4-dien-1-ylanthracen-9-yl)-1-naphthalen-1-yldibenzofuran is C1=CCC(c2c3ccccc3c(-c3ccc(-c4cccc5ccccc45)c4c3oc3ccccc34)c3ccccc23)C=C1.
What is the InChIKey of 4-(10-cyclohexa-2,4-dien-1-ylanthracen-9-yl)-1-naphthalen-1-yldibenzofuran?
The InChIKey is NOCKGCYBVXYNMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28O/c1-2-14-28(15-3-1)39-31-18-6-8-20-33(31)40(34-21-9-7-19-32(34)39)37-26-25-35(30-23-12-16-27-13-4-5-17-29(27)30)41-36-22-10-11-24-38(36)43-42(37)41/h1-14,16-26,28H,15H2.
What are the key properties of 4-(10-cyclohexa-2,4-dien-1-ylanthracen-9-yl)-1-naphthalen-1-yldibenzofuran?
4-(10-cyclohexa-2,4-dien-1-ylanthracen-9-yl)-1-naphthalen-1-yldibenzofuran has a molecular weight of 548.69 g/mol, XLogP of 11.98, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(10-cyclohexa-2,4-dien-1-ylanthracen-9-yl)-1-naphthalen-1-yldibenzofuran is sourced from PubChem (CID 155028273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).