6-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2-(2-methylpropyl)naphtho[2,1-b][1]benzofuran

C52H38O — CID 123603110

IUPAC6-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2-(2-methylpropyl)naphtho[2,1-b][1]benzofuran
SMILESCC(C)Cc1ccc2cc(-c3cccc(-c4ccc5c(-c6ccccc6)c6ccccc6c(-c6ccccc6)c5c4)c3)c3oc4ccccc4c3c2c1
InChIInChI=1S/C52H38O/c1-33(2)28-34-24-25-40-32-46(52-51(45(40)29-34)44-22-11-12-23-48(44)53-52)39-19-13-18-37(30-39)38-26-27-43-47(31-38)50(36-16-7-4-8-17-36)42-21-10-9-20-41(42)49(43)35-14-5-3-6-15-35/h3-27,29-33H,28H2,1-2H3
InChIKeySYYSYKXSVQWLMG-UHFFFAOYSA-N
MW678.88 g/mol
LogP14.91
Rot. Bonds6

About 6-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2-(2-methylpropyl)naphtho[2,1-b][1]benzofuran

6-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2-(2-methylpropyl)naphtho[2,1-b][1]benzofuran (PubChem CID 123603110) has the molecular formula C52H38O and a molecular weight of 678.88 g/mol. Its IUPAC name is 6-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2-(2-methylpropyl)naphtho[2,1-b][1]benzofuran.

Molecular Properties

Compound Name6-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2-(2-methylpropyl)naphtho[2,1-b][1]benzofuran
PubChem CID123603110
Molecular FormulaC52H38O
Molecular Weight678.88 g/mol
Exact Mass678.29
IUPAC Name6-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2-(2-methylpropyl)naphtho[2,1-b][1]benzofuran
SMILESCC(C)Cc1ccc2cc(-c3cccc(-c4ccc5c(-c6ccccc6)c6ccccc6c(-c6ccccc6)c5c4)c3)c3oc4ccccc4c3c2c1
InChIInChI=1S/C52H38O/c1-33(2)28-34-24-25-40-32-46(52-51(45(40)29-34)44-22-11-12-23-48(44)53-52)39-19-13-18-37(30-39)38-26-27-43-47(31-38)50(36-16-7-4-8-17-36)42-21-10-9-20-41(42)49(43)35-14-5-3-6-15-35/h3-27,29-33H,28H2,1-2H3
InChIKeySYYSYKXSVQWLMG-UHFFFAOYSA-N
XLogP14.91
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500678.88
LogP ≤ 514.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 6-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2-(2-methylpropyl)naphtho[2,1-b][1]benzofuran with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[3-(9,10-diphenylanthracen-2-yl)phenyl]naphtho[2,1-b][1]benzofuran
CID 88539783
6-[3-(6-methyl-9,10-diphenylanthracen-2-yl)phenyl]naphtho[2,1-b][1]benzofuran
CID 88569932
6-[3-[9,10-bis(4-methylphenyl)anthracen-2-yl]phenyl]naphtho[2,1-b][1]benzofuran;6-[3-[9,10-bis(3-phenylphenyl)anthracen-2-yl]phenyl]naphtho[2,1-b][1]benzofuran;6-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]naphtho[2,1-b][1]benzofuran
CID 159916056
6-[3-(10-phenylanthracen-9-yl)phenyl]naphtho[2,1-b][1]benzofuran
CID 86667299
11-[9,10-bis(3-naphthalen-1-ylphenyl)anthracen-2-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene
CID 88568977
6-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]naphtho[1,2-b][1]benzofuran
CID 129119407
22-[3-(10-phenylanthracen-9-yl)phenyl]-9,24-dioxahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
CID 130185289
18-[8-(10-phenylanthracen-9-yl)dibenzofuran-4-yl]-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16(21),17,19,22-undecaene
CID 130185578
6-[4-[2,3-di(ethylidene)-4-phenylnaphthalen-1-yl]phenyl]naphtho[2,1-b][1]benzofuran
CID 123620919
4-(9,10-diphenylanthracen-2-yl)dibenzofuran
CID 58991794
1-[3-(9-dibenzofuran-4-yl-10-phenylanthracen-2-yl)-10-naphthalen-2-ylanthracen-9-yl]dibenzofuran
CID 138749818
9-naphthalen-1-yl-10-naphthalen-2-ylanthracene;2-[10-[6-(3-naphthalen-2-ylphenyl)naphthalen-1-yl]anthracen-9-yl]dibenzofuran;9-[6-(3-naphthalen-2-ylphenyl)naphthalen-1-yl]-10-(4-phenylphenyl)anthracene;1-[5-(10-phenylanthracen-9-yl)naphthalen-2-yl]dibenzofuran
CID 165001898

Frequently Asked Questions

What is the IUPAC name of 6-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2-(2-methylpropyl)naphtho[2,1-b][1]benzofuran?
The IUPAC name of 6-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2-(2-methylpropyl)naphtho[2,1-b][1]benzofuran (CID 123603110) is 6-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2-(2-methylpropyl)naphtho[2,1-b][1]benzofuran.
What is the SMILES notation for 6-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2-(2-methylpropyl)naphtho[2,1-b][1]benzofuran?
The canonical SMILES for 6-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2-(2-methylpropyl)naphtho[2,1-b][1]benzofuran is CC(C)Cc1ccc2cc(-c3cccc(-c4ccc5c(-c6ccccc6)c6ccccc6c(-c6ccccc6)c5c4)c3)c3oc4ccccc4c3c2c1.
What is the InChIKey of 6-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2-(2-methylpropyl)naphtho[2,1-b][1]benzofuran?
The InChIKey is SYYSYKXSVQWLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H38O/c1-33(2)28-34-24-25-40-32-46(52-51(45(40)29-34)44-22-11-12-23-48(44)53-52)39-19-13-18-37(30-39)38-26-27-43-47(31-38)50(36-16-7-4-8-17-36)42-21-10-9-20-41(42)49(43)35-14-5-3-6-15-35/h3-27,29-33H,28H2,1-2H3.
What are the key properties of 6-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2-(2-methylpropyl)naphtho[2,1-b][1]benzofuran?
6-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2-(2-methylpropyl)naphtho[2,1-b][1]benzofuran has a molecular weight of 678.88 g/mol, XLogP of 14.91, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2-(2-methylpropyl)naphtho[2,1-b][1]benzofuran is sourced from PubChem (CID 123603110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).