2-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-9-phenyl-1,10-phenanthroline

C40H24N2O — CID 90049914

IUPAC2-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-9-phenyl-1,10-phenanthroline
SMILESc1ccc(-c2ccc3ccc4ccc(-c5ccc(-c6ccc7c(c6)oc6ccc8ccccc8c67)cc5)nc4c3n2)cc1
InChIInChI=1S/C40H24N2O/c1-2-7-27(8-3-1)34-21-17-29-14-15-30-18-22-35(42-40(30)39(29)41-34)28-12-10-25(11-13-28)31-16-20-33-37(24-31)43-36-23-19-26-6-4-5-9-32(26)38(33)36/h1-24H
InChIKeyAUETXBKZQYAKDI-UHFFFAOYSA-N
MW548.65 g/mol
LogP10.84
Rot. Bonds3

About 2-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-9-phenyl-1,10-phenanthroline

2-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-9-phenyl-1,10-phenanthroline (PubChem CID 90049914) has the molecular formula C40H24N2O and a molecular weight of 548.65 g/mol. Its IUPAC name is 2-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-9-phenyl-1,10-phenanthroline.

Molecular Properties

Compound Name2-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-9-phenyl-1,10-phenanthroline
PubChem CID90049914
Molecular FormulaC40H24N2O
Molecular Weight548.65 g/mol
Exact Mass548.19
IUPAC Name2-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-9-phenyl-1,10-phenanthroline
SMILESc1ccc(-c2ccc3ccc4ccc(-c5ccc(-c6ccc7c(c6)oc6ccc8ccccc8c67)cc5)nc4c3n2)cc1
InChIInChI=1S/C40H24N2O/c1-2-7-27(8-3-1)34-21-17-29-14-15-30-18-22-35(42-40(30)39(29)41-34)28-12-10-25(11-13-28)31-16-20-33-37(24-31)43-36-23-19-26-6-4-5-9-32(26)38(33)36/h1-24H
InChIKeyAUETXBKZQYAKDI-UHFFFAOYSA-N
XLogP10.84
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.65
LogP ≤ 510.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9-phenyl-1,10-phenanthroline
CID 90049902
9-[4-[bis[4-(3-phenylphenyl)phenyl]methyl]phenyl]naphtho[2,1-b][1]benzofuran
CID 59136995
9-[4-[(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-[4-(3-phenylphenyl)phenyl]methyl]phenyl]naphtho[2,1-b][1]benzofuran
CID 59137038
2-(33-oxaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.020,29.023,28]tritriaconta-1(18),2,4,6,8,10,12,14,16,19(32),20(29),21,23,25,27,30-hexadecaen-30-yl)-9-phenyl-1,10-phenanthroline
CID 154600421
2,9-bis(4-dibenzofuran-2-ylphenyl)-1,10-phenanthroline
CID 90050213
2-(13-oxaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18(23),19,21,24,26,28-tetradecaen-21-yl)-1,10-phenanthroline;2-(14-oxaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18(23),19,21,24,26,28-tetradecaen-21-yl)-1,10-phenanthroline;2-(13-oxaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18(23),19,21,24,26,28-tetradecaen-21-yl)-9-phenyl-1,10-phenanthroline;2-(14-oxaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18(23),19,21,24,26,28-tetradecaen-21-yl)-9-phenyl-1,10-phenanthroline
CID 158282124
9-[10-(2,3,5,6-tetradeuterio-4-phenylphenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran
CID 170653690
2-dibenzofuran-2-yl-9-(4-triphenylen-2-ylphenyl)-1,10-phenanthroline
CID 134410345
4-[4-(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-nonaen-6-yl)phenyl]-2,6-diphenylpyridine
CID 138651380
2-[4-[3-[8-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]dibenzofuran-3-yl]phenyl]phenyl]-4-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-6-phenyl-1,3,5-triazine
CID 137465836
9-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran
CID 122415553
2-chloro-4-naphtho[2,1-b][1]benzofuran-9-yl-6-phenyl-1,3,5-triazine
CID 147220347

Frequently Asked Questions

What is the IUPAC name of 2-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-9-phenyl-1,10-phenanthroline?
The IUPAC name of 2-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-9-phenyl-1,10-phenanthroline (CID 90049914) is 2-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-9-phenyl-1,10-phenanthroline.
What is the SMILES notation for 2-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-9-phenyl-1,10-phenanthroline?
The canonical SMILES for 2-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-9-phenyl-1,10-phenanthroline is c1ccc(-c2ccc3ccc4ccc(-c5ccc(-c6ccc7c(c6)oc6ccc8ccccc8c67)cc5)nc4c3n2)cc1.
What is the InChIKey of 2-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-9-phenyl-1,10-phenanthroline?
The InChIKey is AUETXBKZQYAKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24N2O/c1-2-7-27(8-3-1)34-21-17-29-14-15-30-18-22-35(42-40(30)39(29)41-34)28-12-10-25(11-13-28)31-16-20-33-37(24-31)43-36-23-19-26-6-4-5-9-32(26)38(33)36/h1-24H.
What are the key properties of 2-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-9-phenyl-1,10-phenanthroline?
2-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-9-phenyl-1,10-phenanthroline has a molecular weight of 548.65 g/mol, XLogP of 10.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-9-phenyl-1,10-phenanthroline is sourced from PubChem (CID 90049914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).