10-[10-(6-methyl-5,6-dihydronaphthalen-1-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran

C41H28O — CID 135183307

IUPAC10-[10-(6-methyl-5,6-dihydronaphthalen-1-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
SMILESCC1C=Cc2c(cccc2-c2c3ccccc3c(-c3cccc4c3oc3c5ccccc5ccc43)c3ccccc23)C1
InChIInChI=1S/C41H28O/c1-25-20-22-28-27(24-25)11-8-17-30(28)38-31-13-4-6-15-33(31)39(34-16-7-5-14-32(34)38)37-19-9-18-35-36-23-21-26-10-2-3-12-29(26)40(36)42-41(35)37/h2-23,25H,24H2,1H3
InChIKeyFNFJIFQNGAOVDV-UHFFFAOYSA-N
MW536.67 g/mol
LogP11.59
Rot. Bonds2

About 10-[10-(6-methyl-5,6-dihydronaphthalen-1-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran

10-[10-(6-methyl-5,6-dihydronaphthalen-1-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran (PubChem CID 135183307) has the molecular formula C41H28O and a molecular weight of 536.67 g/mol. Its IUPAC name is 10-[10-(6-methyl-5,6-dihydronaphthalen-1-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran.

Molecular Properties

Compound Name10-[10-(6-methyl-5,6-dihydronaphthalen-1-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
PubChem CID135183307
Molecular FormulaC41H28O
Molecular Weight536.67 g/mol
Exact Mass536.21
IUPAC Name10-[10-(6-methyl-5,6-dihydronaphthalen-1-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
SMILESCC1C=Cc2c(cccc2-c2c3ccccc3c(-c3cccc4c3oc3c5ccccc5ccc43)c3ccccc23)C1
InChIInChI=1S/C41H28O/c1-25-20-22-28-27(24-25)11-8-17-30(28)38-31-13-4-6-15-33(31)39(34-16-7-5-14-32(34)38)37-19-9-18-35-36-23-21-26-10-2-3-12-29(26)40(36)42-41(35)37/h2-23,25H,24H2,1H3
InChIKeyFNFJIFQNGAOVDV-UHFFFAOYSA-N
XLogP11.59
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.67
LogP ≤ 511.59
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

3-methyl-6-(10-naphtho[1,2-b][1]benzofuran-10-ylanthracen-9-yl)benzene-1,2,4,5-tetrol
CID 170279692
10-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 135183312
10-(10-dibenzothiophen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran
CID 122415638
14-methyl-18-oxatetracyclo[8.8.0.02,7.011,17]octadeca-1(10),2,4,6,8,11(17),12,15-octaene
CID 142593040
10-[1,2,3,4,5,6,7,8-octadeuterio-10-(4-phenylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 171421116
10-methylnaphtho[1,2-b][1]benzofuran
CID 58510874
10-[7-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran-3-yl]naphtho[1,2-b][1]benzofuran
CID 122426429
8-(10-naphthalen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran
CID 90433778
10-[1,2,3,4,5,6,7,8-octadeuterio-10-(9-naphthalen-1-ylphenanthren-3-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 177271207
10-(4-bromonaphthalen-1-yl)naphtho[1,2-b][1]benzofuran
CID 118616472
10-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]naphtho[1,2-b][1]benzofuran
CID 122426066
12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18-nonaene
CID 129156170

Frequently Asked Questions

What is the IUPAC name of 10-[10-(6-methyl-5,6-dihydronaphthalen-1-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran?
The IUPAC name of 10-[10-(6-methyl-5,6-dihydronaphthalen-1-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran (CID 135183307) is 10-[10-(6-methyl-5,6-dihydronaphthalen-1-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran.
What is the SMILES notation for 10-[10-(6-methyl-5,6-dihydronaphthalen-1-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran?
The canonical SMILES for 10-[10-(6-methyl-5,6-dihydronaphthalen-1-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran is CC1C=Cc2c(cccc2-c2c3ccccc3c(-c3cccc4c3oc3c5ccccc5ccc43)c3ccccc23)C1.
What is the InChIKey of 10-[10-(6-methyl-5,6-dihydronaphthalen-1-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran?
The InChIKey is FNFJIFQNGAOVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H28O/c1-25-20-22-28-27(24-25)11-8-17-30(28)38-31-13-4-6-15-33(31)39(34-16-7-5-14-32(34)38)37-19-9-18-35-36-23-21-26-10-2-3-12-29(26)40(36)42-41(35)37/h2-23,25H,24H2,1H3.
What are the key properties of 10-[10-(6-methyl-5,6-dihydronaphthalen-1-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran?
10-[10-(6-methyl-5,6-dihydronaphthalen-1-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran has a molecular weight of 536.67 g/mol, XLogP of 11.59, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[10-(6-methyl-5,6-dihydronaphthalen-1-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran is sourced from PubChem (CID 135183307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).