9-methyl-2-(10-naphthalen-1-yl-4,4a-dihydroanthracen-9-yl)-9,10,10a,11-tetrahydronaphtho[2,3-b][1]benzofuran

C41H32O — CID 145280769

IUPAC9-methyl-2-(10-naphthalen-1-yl-4,4a-dihydroanthracen-9-yl)-9,10,10a,11-tetrahydronaphtho[2,3-b][1]benzofuran
SMILESCC1C=CC2=Cc3oc4ccc(C5=c6ccccc6=C(c6cccc7ccccc67)C6CC=CC=C56)cc4c3CC2C1
InChIInChI=1S/C41H32O/c1-25-17-18-27-24-39-37(23-29(27)21-25)36-22-28(19-20-38(36)42-39)40-32-12-4-6-14-34(32)41(35-15-7-5-13-33(35)40)31-16-8-10-26-9-2-3-11-30(26)31/h2-14,16-20,22,24-25,29,35H,15,21,23H2,1H3
InChIKeyLGZVBZSKHOYEFV-UHFFFAOYSA-N
MW540.71 g/mol
LogP8.65
Rot. Bonds2

About 9-methyl-2-(10-naphthalen-1-yl-4,4a-dihydroanthracen-9-yl)-9,10,10a,11-tetrahydronaphtho[2,3-b][1]benzofuran

9-methyl-2-(10-naphthalen-1-yl-4,4a-dihydroanthracen-9-yl)-9,10,10a,11-tetrahydronaphtho[2,3-b][1]benzofuran (PubChem CID 145280769) has the molecular formula C41H32O and a molecular weight of 540.71 g/mol. Its IUPAC name is 9-methyl-2-(10-naphthalen-1-yl-4,4a-dihydroanthracen-9-yl)-9,10,10a,11-tetrahydronaphtho[2,3-b][1]benzofuran.

Molecular Properties

Compound Name9-methyl-2-(10-naphthalen-1-yl-4,4a-dihydroanthracen-9-yl)-9,10,10a,11-tetrahydronaphtho[2,3-b][1]benzofuran
PubChem CID145280769
Molecular FormulaC41H32O
Molecular Weight540.71 g/mol
Exact Mass540.25
IUPAC Name9-methyl-2-(10-naphthalen-1-yl-4,4a-dihydroanthracen-9-yl)-9,10,10a,11-tetrahydronaphtho[2,3-b][1]benzofuran
SMILESCC1C=CC2=Cc3oc4ccc(C5=c6ccccc6=C(c6cccc7ccccc67)C6CC=CC=C56)cc4c3CC2C1
InChIInChI=1S/C41H32O/c1-25-17-18-27-24-39-37(23-29(27)21-25)36-22-28(19-20-38(36)42-39)40-32-12-4-6-14-34(32)41(35-15-7-5-13-33(35)40)31-16-8-10-26-9-2-3-11-30(26)31/h2-14,16-20,22,24-25,29,35H,15,21,23H2,1H3
InChIKeyLGZVBZSKHOYEFV-UHFFFAOYSA-N
XLogP8.65
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.71
LogP ≤ 58.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 9-methyl-2-(10-naphthalen-1-yl-4,4a-dihydroanthracen-9-yl)-9,10,10a,11-tetrahydronaphtho[2,3-b][1]benzofuran with MolForge

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Related Compounds

2-[10-(3-tert-butylphenyl)-1,9a-dihydroanthracen-9-yl]-8-[10-(3-tert-butylphenyl)anthracen-9-yl]dibenzofuran
CID 170032189
6-(9,10-dinaphthalen-1-yl-5,10a-dihydroanthracen-2-yl)benzene-1,2,3,4,5-pentol
CID 163784132
7-[10-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),17-octaen-18-yl)-7-naphthalen-1-yl-1,9a-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 163466850
4-(10-bromo-1,9a-dihydroanthracen-9-yl)dibenzofuran
CID 170227182
1,2,3,5,6,7,8,9,10,11,12-undecafluoro-4-[5-[10-(2,3,4,5,6-pentafluorophenyl)-1,9a-dihydroanthracen-9-yl]naphthalen-1-yl]benzo[a]anthracene
CID 123923293
N-(4-naphthalen-1-ylphenyl)-N-[4-(12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2,4,6,8,10,14,16-octaen-3-yl)phenyl]-4-phenylaniline
CID 163524557
21-(10-phenyl-1,9a-dihydroanthracen-9-yl)-6-(10-phenylanthracen-9-yl)-3,24-dioxahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,19,21-decaene
CID 130225737
2-(6-dibenzofuran-2-yldibenzofuran-1-yl)-4-(6-methylcyclohexa-1,3-dien-1-yl)-6-phenyl-1,3,5-triazine
CID 170127951
2-dibenzofuran-3-yl-4-(5-dibenzofuran-1-ylnaphthalen-1-yl)-6-(6-methylcyclohexa-1,3-dien-1-yl)-1,3,5-triazine
CID 170133231
2-[8-[4-(3-methylcyclohexa-1,5-dien-1-yl)phenyl]dibenzofuran-1-yl]-4-naphthalen-2-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 170246748
2-dibenzofuran-1-yl-4-(2-dibenzofuran-1-yldibenzofuran-1-yl)-6-(7-methyl-7,8-dihydronaphthalen-2-yl)-1,3,5-triazine
CID 170130251
2-[4-[4-[4-(5-methylcyclohexa-1,3-dien-1-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6-naphthalen-1-yl-[1]benzofuro[3,2-c]quinoline
CID 146497793

Frequently Asked Questions

What is the IUPAC name of 9-methyl-2-(10-naphthalen-1-yl-4,4a-dihydroanthracen-9-yl)-9,10,10a,11-tetrahydronaphtho[2,3-b][1]benzofuran?
The IUPAC name of 9-methyl-2-(10-naphthalen-1-yl-4,4a-dihydroanthracen-9-yl)-9,10,10a,11-tetrahydronaphtho[2,3-b][1]benzofuran (CID 145280769) is 9-methyl-2-(10-naphthalen-1-yl-4,4a-dihydroanthracen-9-yl)-9,10,10a,11-tetrahydronaphtho[2,3-b][1]benzofuran.
What is the SMILES notation for 9-methyl-2-(10-naphthalen-1-yl-4,4a-dihydroanthracen-9-yl)-9,10,10a,11-tetrahydronaphtho[2,3-b][1]benzofuran?
The canonical SMILES for 9-methyl-2-(10-naphthalen-1-yl-4,4a-dihydroanthracen-9-yl)-9,10,10a,11-tetrahydronaphtho[2,3-b][1]benzofuran is CC1C=CC2=Cc3oc4ccc(C5=c6ccccc6=C(c6cccc7ccccc67)C6CC=CC=C56)cc4c3CC2C1.
What is the InChIKey of 9-methyl-2-(10-naphthalen-1-yl-4,4a-dihydroanthracen-9-yl)-9,10,10a,11-tetrahydronaphtho[2,3-b][1]benzofuran?
The InChIKey is LGZVBZSKHOYEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H32O/c1-25-17-18-27-24-39-37(23-29(27)21-25)36-22-28(19-20-38(36)42-39)40-32-12-4-6-14-34(32)41(35-15-7-5-13-33(35)40)31-16-8-10-26-9-2-3-11-30(26)31/h2-14,16-20,22,24-25,29,35H,15,21,23H2,1H3.
What are the key properties of 9-methyl-2-(10-naphthalen-1-yl-4,4a-dihydroanthracen-9-yl)-9,10,10a,11-tetrahydronaphtho[2,3-b][1]benzofuran?
9-methyl-2-(10-naphthalen-1-yl-4,4a-dihydroanthracen-9-yl)-9,10,10a,11-tetrahydronaphtho[2,3-b][1]benzofuran has a molecular weight of 540.71 g/mol, XLogP of 8.65, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-2-(10-naphthalen-1-yl-4,4a-dihydroanthracen-9-yl)-9,10,10a,11-tetrahydronaphtho[2,3-b][1]benzofuran is sourced from PubChem (CID 145280769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).