5-naphtho[2,1-b][1]benzofuran-11-yl-2-[10-(4-phenylphenyl)anthracen-9-yl]pyridine;5-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)-2-[10-(4-phenylphenyl)anthracen-9-yl]pyridine

C100H62N2O2 — CID 159428411

IUPAC5-naphtho[2,1-b][1]benzofuran-11-yl-2-[10-(4-phenylphenyl)anthracen-9-yl]pyridine;5-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)-2-[10-(4-phenylphenyl)anthracen-9-yl]pyridine
SMILESc1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccc(-c6ccc7oc8ccc9ccccc9c8c7c6)cc5)cn4)c4ccccc34)cc2)cc1.c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5cccc6oc7ccc8ccccc8c7c56)cn4)c4ccccc34)cc2)cc1
InChIInChI=1S/C53H33NO.C47H29NO/c1-2-10-34(11-3-1)35-22-24-39(25-23-35)51-43-14-6-8-16-45(43)52(46-17-9-7-15-44(46)51)48-29-26-41(33-54-48)37-20-18-36(19-21-37)40-28-30-49-47(32-40)53-42-13-5-4-12-38(42)27-31-50(53)55-49;1-2-11-30(12-3-1)31-21-23-33(24-22-31)44-37-15-6-8-17-39(37)45(40-18-9-7-16-38(40)44)41-27-25-34(29-48-41)36-19-10-20-42-47(36)46-35-14-5-4-13-32(35)26-28-43(46)49-42/h1-33H;1-29H
InChIKeyLQRBNBNLXATPPW-UHFFFAOYSA-N
MW1323.61 g/mol
LogP27.88
Rot. Bonds9

About 5-naphtho[2,1-b][1]benzofuran-11-yl-2-[10-(4-phenylphenyl)anthracen-9-yl]pyridine;5-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)-2-[10-(4-phenylphenyl)anthracen-9-yl]pyridine

5-naphtho[2,1-b][1]benzofuran-11-yl-2-[10-(4-phenylphenyl)anthracen-9-yl]pyridine;5-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)-2-[10-(4-phenylphenyl)anthracen-9-yl]pyridine (PubChem CID 159428411) has the molecular formula C100H62N2O2 and a molecular weight of 1323.61 g/mol. Its IUPAC name is 5-naphtho[2,1-b][1]benzofuran-11-yl-2-[10-(4-phenylphenyl)anthracen-9-yl]pyridine;5-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)-2-[10-(4-phenylphenyl)anthracen-9-yl]pyridine.

Molecular Properties

Compound Name5-naphtho[2,1-b][1]benzofuran-11-yl-2-[10-(4-phenylphenyl)anthracen-9-yl]pyridine;5-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)-2-[10-(4-phenylphenyl)anthracen-9-yl]pyridine
PubChem CID159428411
Molecular FormulaC100H62N2O2
Molecular Weight1323.61 g/mol
Exact Mass1322.48
IUPAC Name5-naphtho[2,1-b][1]benzofuran-11-yl-2-[10-(4-phenylphenyl)anthracen-9-yl]pyridine;5-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)-2-[10-(4-phenylphenyl)anthracen-9-yl]pyridine
SMILESc1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccc(-c6ccc7oc8ccc9ccccc9c8c7c6)cc5)cn4)c4ccccc34)cc2)cc1.c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5cccc6oc7ccc8ccccc8c7c56)cn4)c4ccccc34)cc2)cc1
InChIInChI=1S/C53H33NO.C47H29NO/c1-2-10-34(11-3-1)35-22-24-39(25-23-35)51-43-14-6-8-16-45(43)52(46-17-9-7-15-44(46)51)48-29-26-41(33-54-48)37-20-18-36(19-21-37)40-28-30-49-47(32-40)53-42-13-5-4-12-38(42)27-31-50(53)55-49;1-2-11-30(12-3-1)31-21-23-33(24-22-31)44-37-15-6-8-17-39(37)45(40-18-9-7-16-38(40)44)41-27-25-34(29-48-41)36-19-10-20-42-47(36)46-35-14-5-4-13-32(35)26-28-43(46)49-42/h1-33H;1-29H
InChIKeyLQRBNBNLXATPPW-UHFFFAOYSA-N
XLogP27.88
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms104
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001323.61
LogP ≤ 527.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-naphtho[2,1-b][1]benzofuran-11-yl-2-[10-(4-phenylphenyl)anthracen-9-yl]pyridine;5-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)-2-[10-(4-phenylphenyl)anthracen-9-yl]pyridine with MolForge

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Related Compounds

5-naphtho[2,1-b][1]benzofuran-10-yl-2-[10-(4-phenylphenyl)anthracen-9-yl]pyridine
CID 149259214
10-[4-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]naphtho[2,1-b][1]benzofuran
CID 146652374
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
11-[10-(3,5-diphenylphenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran
CID 155205291
5-(3-naphthalen-1-yl-10-phenylanthracen-9-yl)-18-phenyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene
CID 163772401
10-(2-naphthalen-1-yl-10-phenylanthracen-9-yl)naphtho[2,1-b][1]benzofuran
CID 166587818
2-(4-dibenzofuran-2-ylphenyl)-5-[10-(4-phenylphenyl)anthracen-9-yl]pyridine
CID 147052468
2-naphtho[2,3-b][1]benzofuran-1-yl-5-(10-phenylanthracen-9-yl)pyridine
CID 134531225
3-(3-naphtho[2,1-b][1]benzofuran-8-ylphenyl)phenanthro[9,10-b]pyrazine;3-(3-naphtho[2,1-b][1]benzofuran-10-ylphenyl)phenanthro[9,10-b]pyrazine;3-(3-naphtho[2,1-b][1]benzofuran-11-ylphenyl)phenanthro[9,10-b]pyrazine;3-[3-(3-naphtho[2,1-b][1]benzofuran-8-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-(3-naphtho[2,1-b][1]benzofuran-10-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-(3-naphtho[2,1-b][1]benzofuran-8-ylphenyl)phenyl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-[3-(3-naphtho[2,1-b][1]benzofuran-8-ylphenyl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 159603880
1-(10-phenylanthracen-9-yl)-9-[4-[9-phenyl-10-(8-phenyldibenzofuran-1-yl)anthracen-2-yl]phenyl]dibenzofuran
CID 139396293
9-[10-(4-dibenzofuran-2-ylphenyl)anthracen-9-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 134487938
11-(3-benzo[a]anthracen-7-yl-5-phenylphenyl)naphtho[2,1-b][1]benzofuran
CID 177072144

Frequently Asked Questions

What is the IUPAC name of 5-naphtho[2,1-b][1]benzofuran-11-yl-2-[10-(4-phenylphenyl)anthracen-9-yl]pyridine;5-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)-2-[10-(4-phenylphenyl)anthracen-9-yl]pyridine?
The IUPAC name of 5-naphtho[2,1-b][1]benzofuran-11-yl-2-[10-(4-phenylphenyl)anthracen-9-yl]pyridine;5-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)-2-[10-(4-phenylphenyl)anthracen-9-yl]pyridine (CID 159428411) is 5-naphtho[2,1-b][1]benzofuran-11-yl-2-[10-(4-phenylphenyl)anthracen-9-yl]pyridine;5-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)-2-[10-(4-phenylphenyl)anthracen-9-yl]pyridine.
What is the SMILES notation for 5-naphtho[2,1-b][1]benzofuran-11-yl-2-[10-(4-phenylphenyl)anthracen-9-yl]pyridine;5-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)-2-[10-(4-phenylphenyl)anthracen-9-yl]pyridine?
The canonical SMILES for 5-naphtho[2,1-b][1]benzofuran-11-yl-2-[10-(4-phenylphenyl)anthracen-9-yl]pyridine;5-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)-2-[10-(4-phenylphenyl)anthracen-9-yl]pyridine is c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccc(-c6ccc7oc8ccc9ccccc9c8c7c6)cc5)cn4)c4ccccc34)cc2)cc1.c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5cccc6oc7ccc8ccccc8c7c56)cn4)c4ccccc34)cc2)cc1.
What is the InChIKey of 5-naphtho[2,1-b][1]benzofuran-11-yl-2-[10-(4-phenylphenyl)anthracen-9-yl]pyridine;5-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)-2-[10-(4-phenylphenyl)anthracen-9-yl]pyridine?
The InChIKey is LQRBNBNLXATPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33NO.C47H29NO/c1-2-10-34(11-3-1)35-22-24-39(25-23-35)51-43-14-6-8-16-45(43)52(46-17-9-7-15-44(46)51)48-29-26-41(33-54-48)37-20-18-36(19-21-37)40-28-30-49-47(32-40)53-42-13-5-4-12-38(42)27-31-50(53)55-49;1-2-11-30(12-3-1)31-21-23-33(24-22-31)44-37-15-6-8-17-39(37)45(40-18-9-7-16-38(40)44)41-27-25-34(29-48-41)36-19-10-20-42-47(36)46-35-14-5-4-13-32(35)26-28-43(46)49-42/h1-33H;1-29H.
What are the key properties of 5-naphtho[2,1-b][1]benzofuran-11-yl-2-[10-(4-phenylphenyl)anthracen-9-yl]pyridine;5-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)-2-[10-(4-phenylphenyl)anthracen-9-yl]pyridine?
5-naphtho[2,1-b][1]benzofuran-11-yl-2-[10-(4-phenylphenyl)anthracen-9-yl]pyridine;5-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)-2-[10-(4-phenylphenyl)anthracen-9-yl]pyridine has a molecular weight of 1323.61 g/mol, XLogP of 27.88, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-naphtho[2,1-b][1]benzofuran-11-yl-2-[10-(4-phenylphenyl)anthracen-9-yl]pyridine;5-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)-2-[10-(4-phenylphenyl)anthracen-9-yl]pyridine is sourced from PubChem (CID 159428411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).