2-[3-(5-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]-9-phenyl-1,10-phenanthroline

C50H30N2O — CID 164835114

IUPAC2-[3-(5-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]-9-phenyl-1,10-phenanthroline
SMILESc1ccc(-c2ccc3ccc4ccc(-c5cccc(-c6cccc7oc8c9ccccc9c(-c9cccc%10ccccc9%10)cc8c67)c5)nc4c3n2)cc1
InChIInChI=1S/C50H30N2O/c1-2-12-32(13-3-1)44-27-25-33-23-24-34-26-28-45(52-49(34)48(33)51-44)36-16-8-15-35(29-36)38-20-10-22-46-47(38)43-30-42(40-18-6-7-19-41(40)50(43)53-46)39-21-9-14-31-11-4-5-17-37(31)39/h1-30H
InChIKeyKYDQOQCCHGMYFT-UHFFFAOYSA-N
MW674.80 g/mol
LogP13.66
Rot. Bonds4

About 2-[3-(5-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]-9-phenyl-1,10-phenanthroline

2-[3-(5-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]-9-phenyl-1,10-phenanthroline (PubChem CID 164835114) has the molecular formula C50H30N2O and a molecular weight of 674.80 g/mol. Its IUPAC name is 2-[3-(5-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]-9-phenyl-1,10-phenanthroline.

Molecular Properties

Compound Name2-[3-(5-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]-9-phenyl-1,10-phenanthroline
PubChem CID164835114
Molecular FormulaC50H30N2O
Molecular Weight674.80 g/mol
Exact Mass674.24
IUPAC Name2-[3-(5-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]-9-phenyl-1,10-phenanthroline
SMILESc1ccc(-c2ccc3ccc4ccc(-c5cccc(-c6cccc7oc8c9ccccc9c(-c9cccc%10ccccc9%10)cc8c67)c5)nc4c3n2)cc1
InChIInChI=1S/C50H30N2O/c1-2-12-32(13-3-1)44-27-25-33-23-24-34-26-28-45(52-49(34)48(33)51-44)36-16-8-15-35(29-36)38-20-10-22-46-47(38)43-30-42(40-18-6-7-19-41(40)50(43)53-46)39-21-9-14-31-11-4-5-17-37(31)39/h1-30H
InChIKeyKYDQOQCCHGMYFT-UHFFFAOYSA-N
XLogP13.66
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.80
LogP ≤ 513.66
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

4-dibenzofuran-4-yl-9-phenyl-2-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline
CID 90050330
2,4-dinaphthalen-1-yl-6-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine
CID 169048730
2-(4-dibenzofuran-1-ylphenyl)-9-phenyl-1,10-phenanthroline
CID 90049774
4-[4-(5-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine
CID 164835304
11-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-9-oxa-12-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene
CID 147846256
2-(5-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-7-yl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine
CID 176818468
2,4-diphenyl-6-[3-(7-triphenylen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]pyrimidine
CID 164835316
2-(3-dibenzofuran-4-ylphenyl)-9-fluoranthen-3-yl-1,10-phenanthroline
CID 90049811
2,4-diphenyl-6-[3-[3-(7-triphenylen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]phenyl]pyrimidine
CID 164834788
2-[3-[4-(3,5-dinaphthalen-1-ylphenyl)phenyl]phenyl]-9-phenyl-1,10-phenanthroline
CID 138725059
2-[4-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-15-yl)naphthalen-1-yl]-9-phenyl-1,10-phenanthroline
CID 138739045
4-[4-(5-dibenzofuran-4-ylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine
CID 164835257

Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]-9-phenyl-1,10-phenanthroline?
The IUPAC name of 2-[3-(5-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]-9-phenyl-1,10-phenanthroline (CID 164835114) is 2-[3-(5-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]-9-phenyl-1,10-phenanthroline.
What is the SMILES notation for 2-[3-(5-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]-9-phenyl-1,10-phenanthroline?
The canonical SMILES for 2-[3-(5-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]-9-phenyl-1,10-phenanthroline is c1ccc(-c2ccc3ccc4ccc(-c5cccc(-c6cccc7oc8c9ccccc9c(-c9cccc%10ccccc9%10)cc8c67)c5)nc4c3n2)cc1.
What is the InChIKey of 2-[3-(5-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]-9-phenyl-1,10-phenanthroline?
The InChIKey is KYDQOQCCHGMYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N2O/c1-2-12-32(13-3-1)44-27-25-33-23-24-34-26-28-45(52-49(34)48(33)51-44)36-16-8-15-35(29-36)38-20-10-22-46-47(38)43-30-42(40-18-6-7-19-41(40)50(43)53-46)39-21-9-14-31-11-4-5-17-37(31)39/h1-30H.
What are the key properties of 2-[3-(5-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]-9-phenyl-1,10-phenanthroline?
2-[3-(5-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]-9-phenyl-1,10-phenanthroline has a molecular weight of 674.80 g/mol, XLogP of 13.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]-9-phenyl-1,10-phenanthroline is sourced from PubChem (CID 164835114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).