2-naphtho[2,3-b][1]benzofuran-2-yl-5-[10-(4-phenylphenyl)anthracen-9-yl]-1,2-dihydropyridine

C47H31NO — CID 134531389

IUPAC2-naphtho[2,3-b][1]benzofuran-2-yl-5-[10-(4-phenylphenyl)anthracen-9-yl]-1,2-dihydropyridine
SMILESC1=CC(c2ccc3oc4cc5ccccc5cc4c3c2)NC=C1c1c2ccccc2c(-c2ccc(-c3ccccc3)cc2)c2ccccc12
InChIInChI=1S/C47H31NO/c1-2-10-30(11-3-1)31-18-20-32(21-19-31)46-37-14-6-8-16-39(37)47(40-17-9-7-15-38(40)46)36-22-24-43(48-29-36)35-23-25-44-41(27-35)42-26-33-12-4-5-13-34(33)28-45(42)49-44/h1-29,43,48H
InChIKeyLTCVMKNFPMUWEG-UHFFFAOYSA-N
MW625.77 g/mol
LogP12.62
Rot. Bonds4

About 2-naphtho[2,3-b][1]benzofuran-2-yl-5-[10-(4-phenylphenyl)anthracen-9-yl]-1,2-dihydropyridine

2-naphtho[2,3-b][1]benzofuran-2-yl-5-[10-(4-phenylphenyl)anthracen-9-yl]-1,2-dihydropyridine (PubChem CID 134531389) has the molecular formula C47H31NO and a molecular weight of 625.77 g/mol. Its IUPAC name is 2-naphtho[2,3-b][1]benzofuran-2-yl-5-[10-(4-phenylphenyl)anthracen-9-yl]-1,2-dihydropyridine.

Molecular Properties

Compound Name2-naphtho[2,3-b][1]benzofuran-2-yl-5-[10-(4-phenylphenyl)anthracen-9-yl]-1,2-dihydropyridine
PubChem CID134531389
Molecular FormulaC47H31NO
Molecular Weight625.77 g/mol
Exact Mass625.24
IUPAC Name2-naphtho[2,3-b][1]benzofuran-2-yl-5-[10-(4-phenylphenyl)anthracen-9-yl]-1,2-dihydropyridine
SMILESC1=CC(c2ccc3oc4cc5ccccc5cc4c3c2)NC=C1c1c2ccccc2c(-c2ccc(-c3ccccc3)cc2)c2ccccc12
InChIInChI=1S/C47H31NO/c1-2-10-30(11-3-1)31-18-20-32(21-19-31)46-37-14-6-8-16-39(37)47(40-17-9-7-15-38(40)46)36-22-24-43(48-29-36)35-23-25-44-41(27-35)42-26-33-12-4-5-13-34(33)28-45(42)49-44/h1-29,43,48H
InChIKeyLTCVMKNFPMUWEG-UHFFFAOYSA-N
XLogP12.62
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.77
LogP ≤ 512.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran
CID 90433351
CID 165025337
CID 165025337
2-(3,10-diphenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
CID 118402744
2-[3-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]naphtho[2,3-b][1]benzofuran
CID 90433458
2-phenyl-9-(10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
CID 146606986
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
1-[4-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)phenyl]-3-phenyl-1,3-dihydroinden-2-one
CID 157239720
2-[4-[10-(3-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]naphtho[2,3-b][1]benzofuran
CID 146652076
7-[4-(10-dibenzofuran-2-ylanthracen-9-yl)phenyl]-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 130188835
2-[10-[2,4,6-trideuterio-3-(2,3,4,5,6-pentadeuteriophenyl)-5-phenylphenyl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 170663689
2-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)-4,6-diphenylpyrimidine
CID 118503439
2-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]dibenzofuran
CID 135208803

Frequently Asked Questions

What is the IUPAC name of 2-naphtho[2,3-b][1]benzofuran-2-yl-5-[10-(4-phenylphenyl)anthracen-9-yl]-1,2-dihydropyridine?
The IUPAC name of 2-naphtho[2,3-b][1]benzofuran-2-yl-5-[10-(4-phenylphenyl)anthracen-9-yl]-1,2-dihydropyridine (CID 134531389) is 2-naphtho[2,3-b][1]benzofuran-2-yl-5-[10-(4-phenylphenyl)anthracen-9-yl]-1,2-dihydropyridine.
What is the SMILES notation for 2-naphtho[2,3-b][1]benzofuran-2-yl-5-[10-(4-phenylphenyl)anthracen-9-yl]-1,2-dihydropyridine?
The canonical SMILES for 2-naphtho[2,3-b][1]benzofuran-2-yl-5-[10-(4-phenylphenyl)anthracen-9-yl]-1,2-dihydropyridine is C1=CC(c2ccc3oc4cc5ccccc5cc4c3c2)NC=C1c1c2ccccc2c(-c2ccc(-c3ccccc3)cc2)c2ccccc12.
What is the InChIKey of 2-naphtho[2,3-b][1]benzofuran-2-yl-5-[10-(4-phenylphenyl)anthracen-9-yl]-1,2-dihydropyridine?
The InChIKey is LTCVMKNFPMUWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H31NO/c1-2-10-30(11-3-1)31-18-20-32(21-19-31)46-37-14-6-8-16-39(37)47(40-17-9-7-15-38(40)46)36-22-24-43(48-29-36)35-23-25-44-41(27-35)42-26-33-12-4-5-13-34(33)28-45(42)49-44/h1-29,43,48H.
What are the key properties of 2-naphtho[2,3-b][1]benzofuran-2-yl-5-[10-(4-phenylphenyl)anthracen-9-yl]-1,2-dihydropyridine?
2-naphtho[2,3-b][1]benzofuran-2-yl-5-[10-(4-phenylphenyl)anthracen-9-yl]-1,2-dihydropyridine has a molecular weight of 625.77 g/mol, XLogP of 12.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphtho[2,3-b][1]benzofuran-2-yl-5-[10-(4-phenylphenyl)anthracen-9-yl]-1,2-dihydropyridine is sourced from PubChem (CID 134531389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).