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

C46H28O — CID 88568907

IUPAC10-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran
SMILESc1cc(-c2ccc3ccccc3c2)cc(-c2c3ccccc3c(-c3ccc4oc5ccc6ccccc6c5c4c3)c3ccccc23)c1
InChIInChI=1S/C46H28O/c1-2-12-31-26-33(21-20-29(31)10-1)32-13-9-14-34(27-32)44-37-16-5-7-18-39(37)45(40-19-8-6-17-38(40)44)35-23-24-42-41(28-35)46-36-15-4-3-11-30(36)22-25-43(46)47-42/h1-28H
InChIKeyLIETZYRPMHCLAU-UHFFFAOYSA-N
MW596.73 g/mol
LogP13.20
Rot. Bonds3

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

10-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran (PubChem CID 88568907) has the molecular formula C46H28O and a molecular weight of 596.73 g/mol. Its IUPAC name is 10-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran.

Molecular Properties

Compound Name10-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran
PubChem CID88568907
Molecular FormulaC46H28O
Molecular Weight596.73 g/mol
Exact Mass596.21
IUPAC Name10-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran
SMILESc1cc(-c2ccc3ccccc3c2)cc(-c2c3ccccc3c(-c3ccc4oc5ccc6ccccc6c5c4c3)c3ccccc23)c1
InChIInChI=1S/C46H28O/c1-2-12-31-26-33(21-20-29(31)10-1)32-13-9-14-34(27-32)44-37-16-5-7-18-39(37)45(40-19-8-6-17-38(40)44)35-23-24-42-41(28-35)46-36-15-4-3-11-30(36)22-25-43(46)47-42/h1-28H
InChIKeyLIETZYRPMHCLAU-UHFFFAOYSA-N
XLogP13.20
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.73
LogP ≤ 513.20
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

10-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran
CID 154595990
5-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 122427327
10-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;10-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;10-[10-(3-phenylphenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;10-[10-(4-phenylphenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran
CID 163827411
16-[3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene
CID 130188793
3-[10-(3-triphenylen-2-ylphenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran
CID 134487705
9-(3-naphthalen-2-ylphenyl)-10-(3-phenylphenyl)anthracene;9-(4-naphthalen-2-ylphenyl)-10-(3-phenylphenyl)anthracene;2-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 165028790
5-naphthalen-2-yl-10-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,1-b][1]benzofuran
CID 134487561
2-(10-naphthalen-2-ylanthracen-9-yl)-8-phenanthren-2-yldibenzofuran
CID 58194354
10-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-2-ylanthracen-9-yl)naphtho[2,1-b][1]benzofuran
CID 153473901
2-[3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]naphtho[2,3-b][1]benzofuran;2-[3-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]naphtho[2,3-b][1]benzofuran
CID 160681067
10-[1,2,3,4,5,6,7,8-octadeuterio-10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran
CID 153473885
10-[6-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphthalen-2-yl]naphtho[2,1-b][1]benzofuran
CID 153473732

Frequently Asked Questions

What is the IUPAC name of 10-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran?
The IUPAC name of 10-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran (CID 88568907) is 10-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran.
What is the SMILES notation for 10-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran?
The canonical SMILES for 10-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran is c1cc(-c2ccc3ccccc3c2)cc(-c2c3ccccc3c(-c3ccc4oc5ccc6ccccc6c5c4c3)c3ccccc23)c1.
What is the InChIKey of 10-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran?
The InChIKey is LIETZYRPMHCLAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28O/c1-2-12-31-26-33(21-20-29(31)10-1)32-13-9-14-34(27-32)44-37-16-5-7-18-39(37)45(40-19-8-6-17-38(40)44)35-23-24-42-41(28-35)46-36-15-4-3-11-30(36)22-25-43(46)47-42/h1-28H.
What are the key properties of 10-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran?
10-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran has a molecular weight of 596.73 g/mol, XLogP of 13.20, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran is sourced from PubChem (CID 88568907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).