7-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]-1,2-dihydronaphtho[1,2-b][1]benzofuran

C48H32O — CID 155205865

IUPAC7-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]-1,2-dihydronaphtho[1,2-b][1]benzofuran
SMILESC1=Cc2ccc3c(oc4cccc(-c5ccc(-c6c7ccccc7c(-c7ccccc7-c7ccccc7)c7ccccc67)cc5)c43)c2CC1
InChIInChI=1S/C48H32O/c1-2-13-31(14-3-1)35-16-6-7-18-38(35)46-41-21-10-8-19-39(41)45(40-20-9-11-22-42(40)46)34-27-25-33(26-28-34)36-23-12-24-44-47(36)43-30-29-32-15-4-5-17-37(32)48(43)49-44/h1-4,6-16,18-30H,5,17H2
InChIKeyMZBYRABBDNJWOE-UHFFFAOYSA-N
MW624.78 g/mol
LogP13.52
Rot. Bonds4

About 7-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]-1,2-dihydronaphtho[1,2-b][1]benzofuran

7-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]-1,2-dihydronaphtho[1,2-b][1]benzofuran (PubChem CID 155205865) has the molecular formula C48H32O and a molecular weight of 624.78 g/mol. Its IUPAC name is 7-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]-1,2-dihydronaphtho[1,2-b][1]benzofuran.

Molecular Properties

Compound Name7-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]-1,2-dihydronaphtho[1,2-b][1]benzofuran
PubChem CID155205865
Molecular FormulaC48H32O
Molecular Weight624.78 g/mol
Exact Mass624.25
IUPAC Name7-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]-1,2-dihydronaphtho[1,2-b][1]benzofuran
SMILESC1=Cc2ccc3c(oc4cccc(-c5ccc(-c6c7ccccc7c(-c7ccccc7-c7ccccc7)c7ccccc67)cc5)c43)c2CC1
InChIInChI=1S/C48H32O/c1-2-13-31(14-3-1)35-16-6-7-18-38(35)46-41-21-10-8-19-39(41)45(40-20-9-11-22-42(40)46)34-27-25-33(26-28-34)36-23-12-24-44-47(36)43-30-29-32-15-4-5-17-37(32)48(43)49-44/h1-4,6-16,18-30H,5,17H2
InChIKeyMZBYRABBDNJWOE-UHFFFAOYSA-N
XLogP13.52
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.78
LogP ≤ 513.52
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

7-[10-(2-phenylphenyl)anthracen-9-yl]-1,2-dihydronaphtho[1,2-b][1]benzofuran
CID 155205350
7-[10-(7,8-dihydrophenanthren-9-yl)anthracen-9-yl]-1,2-dihydronaphtho[1,2-b][1]benzofuran
CID 155205203
1-(10-phenylanthracen-9-yl)-6-(2-phenylphenyl)dibenzofuran
CID 134169518
9-(3,10-diphenylanthracen-9-yl)-1,2-dihydrodibenzofuran
CID 175630373
6-(10-phenylanthracen-9-yl)-1,2-dihydrodibenzofuran
CID 87631578
1-phenyl-6-[10-[5-[6-(10-phenylanthracen-9-yl)naphthalen-1-yl]naphthalen-2-yl]anthracen-9-yl]dibenzofuran
CID 175617518
7-[10-(2-phenylphenyl)-3,4-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 144583429
7-(10-naphthalen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;7-(10-naphthalen-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;7-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzofuran;7-[10-(2-phenylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 165076267
6-[10-(2-phenylphenyl)anthracen-9-yl]-[1]benzofuro[4,5-b][1]benzofuran
CID 176743583
6,8-diphenyl-1-[10-(4-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 170205377
1-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-6-phenyldibenzofuran
CID 176751774
1-[10-(3,5-diphenylphenyl)anthracen-9-yl]-6-phenyldibenzofuran
CID 176777662

Frequently Asked Questions

What is the IUPAC name of 7-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]-1,2-dihydronaphtho[1,2-b][1]benzofuran?
The IUPAC name of 7-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]-1,2-dihydronaphtho[1,2-b][1]benzofuran (CID 155205865) is 7-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]-1,2-dihydronaphtho[1,2-b][1]benzofuran.
What is the SMILES notation for 7-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]-1,2-dihydronaphtho[1,2-b][1]benzofuran?
The canonical SMILES for 7-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]-1,2-dihydronaphtho[1,2-b][1]benzofuran is C1=Cc2ccc3c(oc4cccc(-c5ccc(-c6c7ccccc7c(-c7ccccc7-c7ccccc7)c7ccccc67)cc5)c43)c2CC1.
What is the InChIKey of 7-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]-1,2-dihydronaphtho[1,2-b][1]benzofuran?
The InChIKey is MZBYRABBDNJWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32O/c1-2-13-31(14-3-1)35-16-6-7-18-38(35)46-41-21-10-8-19-39(41)45(40-20-9-11-22-42(40)46)34-27-25-33(26-28-34)36-23-12-24-44-47(36)43-30-29-32-15-4-5-17-37(32)48(43)49-44/h1-4,6-16,18-30H,5,17H2.
What are the key properties of 7-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]-1,2-dihydronaphtho[1,2-b][1]benzofuran?
7-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]-1,2-dihydronaphtho[1,2-b][1]benzofuran has a molecular weight of 624.78 g/mol, XLogP of 13.52, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]-1,2-dihydronaphtho[1,2-b][1]benzofuran is sourced from PubChem (CID 155205865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).