11-[10-[4-(2-naphthalen-2-ylphenyl)phenyl]anthracen-9-yl]naphtho[2,1-b][1]benzofuran

C52H32O — CID 174273057

IUPAC11-[10-[4-(2-naphthalen-2-ylphenyl)phenyl]anthracen-9-yl]naphtho[2,1-b][1]benzofuran
SMILESc1ccc(-c2ccc3ccccc3c2)c(-c2ccc(-c3c4ccccc4c(-c4cccc5oc6ccc7ccccc7c6c45)c4ccccc34)cc2)c1
InChIInChI=1S/C52H32O/c1-2-14-37-32-38(29-24-33(37)12-1)40-16-6-5-15-39(40)35-25-27-36(28-26-35)49-42-18-7-9-20-44(42)50(45-21-10-8-19-43(45)49)46-22-11-23-47-52(46)51-41-17-4-3-13-34(41)30-31-48(51)53-47/h1-32H
InChIKeyMGHFDHKNFYBPSH-UHFFFAOYSA-N
MW672.83 g/mol
LogP14.87
Rot. Bonds4

About 11-[10-[4-(2-naphthalen-2-ylphenyl)phenyl]anthracen-9-yl]naphtho[2,1-b][1]benzofuran

11-[10-[4-(2-naphthalen-2-ylphenyl)phenyl]anthracen-9-yl]naphtho[2,1-b][1]benzofuran (PubChem CID 174273057) has the molecular formula C52H32O and a molecular weight of 672.83 g/mol. Its IUPAC name is 11-[10-[4-(2-naphthalen-2-ylphenyl)phenyl]anthracen-9-yl]naphtho[2,1-b][1]benzofuran.

Molecular Properties

Compound Name11-[10-[4-(2-naphthalen-2-ylphenyl)phenyl]anthracen-9-yl]naphtho[2,1-b][1]benzofuran
PubChem CID174273057
Molecular FormulaC52H32O
Molecular Weight672.83 g/mol
Exact Mass672.25
IUPAC Name11-[10-[4-(2-naphthalen-2-ylphenyl)phenyl]anthracen-9-yl]naphtho[2,1-b][1]benzofuran
SMILESc1ccc(-c2ccc3ccccc3c2)c(-c2ccc(-c3c4ccccc4c(-c4cccc5oc6ccc7ccccc7c6c45)c4ccccc34)cc2)c1
InChIInChI=1S/C52H32O/c1-2-14-37-32-38(29-24-33(37)12-1)40-16-6-5-15-39(40)35-25-27-36(28-26-35)49-42-18-7-9-20-44(42)50(45-21-10-8-19-43(45)49)46-22-11-23-47-52(46)51-41-17-4-3-13-34(41)30-31-48(51)53-47/h1-32H
InChIKeyMGHFDHKNFYBPSH-UHFFFAOYSA-N
XLogP14.87
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.83
LogP ≤ 514.87
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

4-(10-naphthalen-2-ylanthracen-9-yl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 167187041
11-[3-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]naphtho[2,1-b][1]benzofuran
CID 155201319
11-[10-(3,5-diphenylphenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran
CID 155205291
9-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 130188657
2-[2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]dibenzofuran
CID 174296945
4-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene
CID 177265087
11-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]naphtho[2,1-b][1]benzofuran
CID 155201324
11-[6-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]naphtho[2,1-b][1]benzofuran
CID 164831080
1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran
CID 118563907
11-[10-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]naphtho[2,1-b][1]benzofuran
CID 170653835
11-anthracen-9-ylnaphtho[2,1-b][1]benzofuran
CID 170209534
9-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 130188704

Frequently Asked Questions

What is the IUPAC name of 11-[10-[4-(2-naphthalen-2-ylphenyl)phenyl]anthracen-9-yl]naphtho[2,1-b][1]benzofuran?
The IUPAC name of 11-[10-[4-(2-naphthalen-2-ylphenyl)phenyl]anthracen-9-yl]naphtho[2,1-b][1]benzofuran (CID 174273057) is 11-[10-[4-(2-naphthalen-2-ylphenyl)phenyl]anthracen-9-yl]naphtho[2,1-b][1]benzofuran.
What is the SMILES notation for 11-[10-[4-(2-naphthalen-2-ylphenyl)phenyl]anthracen-9-yl]naphtho[2,1-b][1]benzofuran?
The canonical SMILES for 11-[10-[4-(2-naphthalen-2-ylphenyl)phenyl]anthracen-9-yl]naphtho[2,1-b][1]benzofuran is c1ccc(-c2ccc3ccccc3c2)c(-c2ccc(-c3c4ccccc4c(-c4cccc5oc6ccc7ccccc7c6c45)c4ccccc34)cc2)c1.
What is the InChIKey of 11-[10-[4-(2-naphthalen-2-ylphenyl)phenyl]anthracen-9-yl]naphtho[2,1-b][1]benzofuran?
The InChIKey is MGHFDHKNFYBPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32O/c1-2-14-37-32-38(29-24-33(37)12-1)40-16-6-5-15-39(40)35-25-27-36(28-26-35)49-42-18-7-9-20-44(42)50(45-21-10-8-19-43(45)49)46-22-11-23-47-52(46)51-41-17-4-3-13-34(41)30-31-48(51)53-47/h1-32H.
What are the key properties of 11-[10-[4-(2-naphthalen-2-ylphenyl)phenyl]anthracen-9-yl]naphtho[2,1-b][1]benzofuran?
11-[10-[4-(2-naphthalen-2-ylphenyl)phenyl]anthracen-9-yl]naphtho[2,1-b][1]benzofuran has a molecular weight of 672.83 g/mol, XLogP of 14.87, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[10-[4-(2-naphthalen-2-ylphenyl)phenyl]anthracen-9-yl]naphtho[2,1-b][1]benzofuran is sourced from PubChem (CID 174273057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).