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

C47H29NO — CID 146781542

IUPAC2-naphtho[1,2-b][1]benzofuran-9-yl-5-[10-(4-phenylphenyl)anthracen-9-yl]pyridine
SMILESc1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccc6c(c5)oc5c7ccccc7ccc65)nc4)c4ccccc34)cc2)cc1
InChIInChI=1S/C47H29NO/c1-2-10-30(11-3-1)31-18-20-33(21-19-31)45-38-14-6-8-16-40(38)46(41-17-9-7-15-39(41)45)35-24-27-43(48-29-35)34-23-25-37-42-26-22-32-12-4-5-13-36(32)47(42)49-44(37)28-34/h1-29H
InChIKeyRTTRJBMCHHOBIV-UHFFFAOYSA-N
MW623.76 g/mol
LogP13.11
Rot. Bonds4

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

2-naphtho[1,2-b][1]benzofuran-9-yl-5-[10-(4-phenylphenyl)anthracen-9-yl]pyridine (PubChem CID 146781542) has the molecular formula C47H29NO and a molecular weight of 623.76 g/mol. Its IUPAC name is 2-naphtho[1,2-b][1]benzofuran-9-yl-5-[10-(4-phenylphenyl)anthracen-9-yl]pyridine.

Molecular Properties

Compound Name2-naphtho[1,2-b][1]benzofuran-9-yl-5-[10-(4-phenylphenyl)anthracen-9-yl]pyridine
PubChem CID146781542
Molecular FormulaC47H29NO
Molecular Weight623.76 g/mol
Exact Mass623.22
IUPAC Name2-naphtho[1,2-b][1]benzofuran-9-yl-5-[10-(4-phenylphenyl)anthracen-9-yl]pyridine
SMILESc1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccc6c(c5)oc5c7ccccc7ccc65)nc4)c4ccccc34)cc2)cc1
InChIInChI=1S/C47H29NO/c1-2-10-30(11-3-1)31-18-20-33(21-19-31)45-38-14-6-8-16-40(38)46(41-17-9-7-15-39(41)45)35-24-27-43(48-29-35)34-23-25-37-42-26-22-32-12-4-5-13-36(32)47(42)49-44(37)28-34/h1-29H
InChIKeyRTTRJBMCHHOBIV-UHFFFAOYSA-N
XLogP13.11
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.76
LogP ≤ 513.11
H-Bond Donors ≤ 50
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-naphtho[1,2-b][1]benzofuran-8-yl-5-[10-(4-phenylphenyl)anthracen-9-yl]pyridine
CID 146859596
9-[10-(4-triphenylen-2-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 134487734
9-[10-(2-phenylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 118402665
9-[10-(4-phenylnaphthalen-2-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 174167817
9-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 90433768
2-(3-naphtho[1,2-b][1]benzofuran-9-yl-5-phenylphenyl)-4-phenyl-6-(4-phenylphenyl)pyrimidine
CID 168730388
2-(4-dibenzofuran-2-ylphenyl)-5-[10-(4-phenylphenyl)anthracen-9-yl]pyridine
CID 147052468
9-[1,2,3,4,5,6,7,8-octadeuterio-10-(3-phenylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 153436430
2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-5-phenylpyridine
CID 90361384
7-[4-(10-phenylanthracen-9-yl)phenyl]-3,14-dioxahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4(9),5,7,11,15(24),16,18,20,22-undecaene
CID 130190112
9-[10-[4-(2-triphenylen-2-ylphenyl)phenyl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 174273669
9-[10-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 170653982

Frequently Asked Questions

What is the IUPAC name of 2-naphtho[1,2-b][1]benzofuran-9-yl-5-[10-(4-phenylphenyl)anthracen-9-yl]pyridine?
The IUPAC name of 2-naphtho[1,2-b][1]benzofuran-9-yl-5-[10-(4-phenylphenyl)anthracen-9-yl]pyridine (CID 146781542) is 2-naphtho[1,2-b][1]benzofuran-9-yl-5-[10-(4-phenylphenyl)anthracen-9-yl]pyridine.
What is the SMILES notation for 2-naphtho[1,2-b][1]benzofuran-9-yl-5-[10-(4-phenylphenyl)anthracen-9-yl]pyridine?
The canonical SMILES for 2-naphtho[1,2-b][1]benzofuran-9-yl-5-[10-(4-phenylphenyl)anthracen-9-yl]pyridine is c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccc6c(c5)oc5c7ccccc7ccc65)nc4)c4ccccc34)cc2)cc1.
What is the InChIKey of 2-naphtho[1,2-b][1]benzofuran-9-yl-5-[10-(4-phenylphenyl)anthracen-9-yl]pyridine?
The InChIKey is RTTRJBMCHHOBIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29NO/c1-2-10-30(11-3-1)31-18-20-33(21-19-31)45-38-14-6-8-16-40(38)46(41-17-9-7-15-39(41)45)35-24-27-43(48-29-35)34-23-25-37-42-26-22-32-12-4-5-13-36(32)47(42)49-44(37)28-34/h1-29H.
What are the key properties of 2-naphtho[1,2-b][1]benzofuran-9-yl-5-[10-(4-phenylphenyl)anthracen-9-yl]pyridine?
2-naphtho[1,2-b][1]benzofuran-9-yl-5-[10-(4-phenylphenyl)anthracen-9-yl]pyridine has a molecular weight of 623.76 g/mol, XLogP of 13.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphtho[1,2-b][1]benzofuran-9-yl-5-[10-(4-phenylphenyl)anthracen-9-yl]pyridine is sourced from PubChem (CID 146781542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).