1-[10-(3,4-diphenylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran

C48H30O — CID 155203981

IUPAC1-[10-(3,4-diphenylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran
SMILESc1ccc(-c2ccc(-c3c4ccccc4c(-c4cccc5oc6cc7ccccc7cc6c45)c4ccccc34)cc2-c2ccccc2)cc1
InChIInChI=1S/C48H30O/c1-3-14-31(15-4-1)36-27-26-35(29-42(36)32-16-5-2-6-17-32)46-37-20-9-11-22-39(37)47(40-23-12-10-21-38(40)46)41-24-13-25-44-48(41)43-28-33-18-7-8-19-34(33)30-45(43)49-44/h1-30H
InChIKeySRBARXSRCRUSIY-UHFFFAOYSA-N
MW622.77 g/mol
LogP13.71
Rot. Bonds4

About 1-[10-(3,4-diphenylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran

1-[10-(3,4-diphenylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran (PubChem CID 155203981) has the molecular formula C48H30O and a molecular weight of 622.77 g/mol. Its IUPAC name is 1-[10-(3,4-diphenylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran.

Molecular Properties

Compound Name1-[10-(3,4-diphenylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran
PubChem CID155203981
Molecular FormulaC48H30O
Molecular Weight622.77 g/mol
Exact Mass622.23
IUPAC Name1-[10-(3,4-diphenylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran
SMILESc1ccc(-c2ccc(-c3c4ccccc4c(-c4cccc5oc6cc7ccccc7cc6c45)c4ccccc34)cc2-c2ccccc2)cc1
InChIInChI=1S/C48H30O/c1-3-14-31(15-4-1)36-27-26-35(29-42(36)32-16-5-2-6-17-32)46-37-20-9-11-22-39(37)47(40-23-12-10-21-38(40)46)41-24-13-25-44-48(41)43-28-33-18-7-8-19-34(33)30-45(43)49-44/h1-30H
InChIKeySRBARXSRCRUSIY-UHFFFAOYSA-N
XLogP13.71
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.77
LogP ≤ 513.71
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

1-[10-(2,6-dideuterio-4-phenylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 170654026
1-[1-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]naphtho[2,3-b][1]benzofuran
CID 170249918
1-(10-naphthalen-1-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
CID 122415544
1-[3-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran
CID 164779542
9-naphtho[2,3-b][1]benzofuran-1-yl-10-[2-(4-phenylphenyl)phenyl]anthracene-1,2,3,4,5,6,7,8-octol
CID 158025600
8-[9-naphtho[2,3-b][1]benzofuran-1-yl-10-(7-phenylnaphthalen-2-yl)anthracen-2-yl]-1-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 167077098
1-[10-[4-(2,3,4,5,6-pentadeuteriophenyl)-3-phenylphenyl]anthracen-9-yl]-8-phenyldibenzofuran
CID 170663291
1-[4-[10-[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]phenyl]naphtho[2,3-b][1]benzofuran
CID 170653464
5-(10-naphthalen-2-ylanthracen-9-yl)-[1]benzofuro[5,6-b][1]benzofuran
CID 176743846
1-[10-[3,4-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]-7-phenyldibenzofuran
CID 170662053
4-[21-(10-naphtho[2,3-b][1]benzofuran-1-ylanthracen-9-yl)-10-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaenyl]-1-(10-triphenylen-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
CID 167079069
1-(10-phenylanthracen-9-yl)-8-[2-(4-phenylphenyl)phenyl]dibenzofuran
CID 134471897

Frequently Asked Questions

What is the IUPAC name of 1-[10-(3,4-diphenylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran?
The IUPAC name of 1-[10-(3,4-diphenylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran (CID 155203981) is 1-[10-(3,4-diphenylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran.
What is the SMILES notation for 1-[10-(3,4-diphenylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran?
The canonical SMILES for 1-[10-(3,4-diphenylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran is c1ccc(-c2ccc(-c3c4ccccc4c(-c4cccc5oc6cc7ccccc7cc6c45)c4ccccc34)cc2-c2ccccc2)cc1.
What is the InChIKey of 1-[10-(3,4-diphenylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran?
The InChIKey is SRBARXSRCRUSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30O/c1-3-14-31(15-4-1)36-27-26-35(29-42(36)32-16-5-2-6-17-32)46-37-20-9-11-22-39(37)47(40-23-12-10-21-38(40)46)41-24-13-25-44-48(41)43-28-33-18-7-8-19-34(33)30-45(43)49-44/h1-30H.
What are the key properties of 1-[10-(3,4-diphenylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran?
1-[10-(3,4-diphenylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran has a molecular weight of 622.77 g/mol, XLogP of 13.71, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[10-(3,4-diphenylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran is sourced from PubChem (CID 155203981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).