1-[10-(3-phenylnaphthalen-1-yl)anthracen-9-yl]-9,10-dihydronaphtho[2,3-b][1]benzofuran

C46H30O — CID 155203898

IUPAC1-[10-(3-phenylnaphthalen-1-yl)anthracen-9-yl]-9,10-dihydronaphtho[2,3-b][1]benzofuran
SMILESC1=Cc2cc3oc4cccc(-c5c6ccccc6c(-c6cc(-c7ccccc7)cc7ccccc67)c6ccccc56)c4c3cc2CC1
InChIInChI=1S/C46H30O/c1-2-13-29(14-3-1)33-25-32-17-6-7-18-34(32)40(27-33)45-37-21-10-8-19-35(37)44(36-20-9-11-22-38(36)45)39-23-12-24-42-46(39)41-26-30-15-4-5-16-31(30)28-43(41)47-42/h1-3,5-14,16-28H,4,15H2
InChIKeyCTOYAWMAYPAHRK-UHFFFAOYSA-N
MW598.75 g/mol
LogP13.01
Rot. Bonds3

About 1-[10-(3-phenylnaphthalen-1-yl)anthracen-9-yl]-9,10-dihydronaphtho[2,3-b][1]benzofuran

1-[10-(3-phenylnaphthalen-1-yl)anthracen-9-yl]-9,10-dihydronaphtho[2,3-b][1]benzofuran (PubChem CID 155203898) has the molecular formula C46H30O and a molecular weight of 598.75 g/mol. Its IUPAC name is 1-[10-(3-phenylnaphthalen-1-yl)anthracen-9-yl]-9,10-dihydronaphtho[2,3-b][1]benzofuran.

Molecular Properties

Compound Name1-[10-(3-phenylnaphthalen-1-yl)anthracen-9-yl]-9,10-dihydronaphtho[2,3-b][1]benzofuran
PubChem CID155203898
Molecular FormulaC46H30O
Molecular Weight598.75 g/mol
Exact Mass598.23
IUPAC Name1-[10-(3-phenylnaphthalen-1-yl)anthracen-9-yl]-9,10-dihydronaphtho[2,3-b][1]benzofuran
SMILESC1=Cc2cc3oc4cccc(-c5c6ccccc6c(-c6cc(-c7ccccc7)cc7ccccc67)c6ccccc56)c4c3cc2CC1
InChIInChI=1S/C46H30O/c1-2-13-29(14-3-1)33-25-32-17-6-7-18-34(32)40(27-33)45-37-21-10-8-19-35(37)44(36-20-9-11-22-38(36)45)39-23-12-24-42-46(39)41-26-30-15-4-5-16-31(30)28-43(41)47-42/h1-3,5-14,16-28H,4,15H2
InChIKeyCTOYAWMAYPAHRK-UHFFFAOYSA-N
XLogP13.01
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.75
LogP ≤ 513.01
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-[1,2,3,4,5,6,7,8-octadeuterio-10-(3-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran
CID 153474815
1-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-8-phenyldibenzofuran
CID 174167556
8-[10-(3,5-diphenylphenyl)anthracen-9-yl]-1-(10-phenylanthracen-9-yl)dibenzofuran
CID 177089190
4-[3-[10-(3-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23-dodecaene
CID 130188810
6-[10-[4-(2-cyclohexa-1,5-dien-1-yl-8-phenyldibenzofuran-1-yl)naphthalen-2-yl]anthracen-9-yl]benzene-1,2,3,4,5-pentol
CID 163683547
1-(10-naphthalen-1-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
CID 122415544
1-[10-[4-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]anthracen-9-yl]-7-phenyldibenzofuran
CID 170662521
2-dibenzofuran-1-yl-4-[3-(7,8-dihydronaphthalen-2-yl)-4-phenylphenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 170020099
1-[10-(2,6-dideuterio-4-phenylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 170654026
1-[10-(3,4-diphenylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 155203981
2-[4-[10-(3-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]naphtho[2,3-b][1]benzofuran
CID 146652076
5-(10-phenanthren-9-ylanthracen-9-yl)-2-phenyl-[1]benzofuro[6,5-b][1]benzofuran
CID 174254499

Frequently Asked Questions

What is the IUPAC name of 1-[10-(3-phenylnaphthalen-1-yl)anthracen-9-yl]-9,10-dihydronaphtho[2,3-b][1]benzofuran?
The IUPAC name of 1-[10-(3-phenylnaphthalen-1-yl)anthracen-9-yl]-9,10-dihydronaphtho[2,3-b][1]benzofuran (CID 155203898) is 1-[10-(3-phenylnaphthalen-1-yl)anthracen-9-yl]-9,10-dihydronaphtho[2,3-b][1]benzofuran.
What is the SMILES notation for 1-[10-(3-phenylnaphthalen-1-yl)anthracen-9-yl]-9,10-dihydronaphtho[2,3-b][1]benzofuran?
The canonical SMILES for 1-[10-(3-phenylnaphthalen-1-yl)anthracen-9-yl]-9,10-dihydronaphtho[2,3-b][1]benzofuran is C1=Cc2cc3oc4cccc(-c5c6ccccc6c(-c6cc(-c7ccccc7)cc7ccccc67)c6ccccc56)c4c3cc2CC1.
What is the InChIKey of 1-[10-(3-phenylnaphthalen-1-yl)anthracen-9-yl]-9,10-dihydronaphtho[2,3-b][1]benzofuran?
The InChIKey is CTOYAWMAYPAHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30O/c1-2-13-29(14-3-1)33-25-32-17-6-7-18-34(32)40(27-33)45-37-21-10-8-19-35(37)44(36-20-9-11-22-38(36)45)39-23-12-24-42-46(39)41-26-30-15-4-5-16-31(30)28-43(41)47-42/h1-3,5-14,16-28H,4,15H2.
What are the key properties of 1-[10-(3-phenylnaphthalen-1-yl)anthracen-9-yl]-9,10-dihydronaphtho[2,3-b][1]benzofuran?
1-[10-(3-phenylnaphthalen-1-yl)anthracen-9-yl]-9,10-dihydronaphtho[2,3-b][1]benzofuran has a molecular weight of 598.75 g/mol, XLogP of 13.01, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[10-(3-phenylnaphthalen-1-yl)anthracen-9-yl]-9,10-dihydronaphtho[2,3-b][1]benzofuran is sourced from PubChem (CID 155203898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).