8-[3-(3-diphenylphosphorylphenyl)phenyl]naphtho[2,1-b][1]benzofuran

C40H27O2P — CID 166031069

IUPAC8-[3-(3-diphenylphosphorylphenyl)phenyl]naphtho[2,1-b][1]benzofuran
SMILESO=P(c1ccccc1)(c1ccccc1)c1cccc(-c2cccc(-c3cccc4c3oc3ccc5ccccc5c34)c2)c1
InChIInChI=1S/C40H27O2P/c41-43(32-16-3-1-4-17-32,33-18-5-2-6-19-33)34-20-10-14-30(27-34)29-13-9-15-31(26-29)36-22-11-23-37-39-35-21-8-7-12-28(35)24-25-38(39)42-40(36)37/h1-27H
InChIKeyQRZDFQYMHYDMQP-UHFFFAOYSA-N
MW570.63 g/mol
LogP9.71
Rot. Bonds5

About 8-[3-(3-diphenylphosphorylphenyl)phenyl]naphtho[2,1-b][1]benzofuran

8-[3-(3-diphenylphosphorylphenyl)phenyl]naphtho[2,1-b][1]benzofuran (PubChem CID 166031069) has the molecular formula C40H27O2P and a molecular weight of 570.63 g/mol. Its IUPAC name is 8-[3-(3-diphenylphosphorylphenyl)phenyl]naphtho[2,1-b][1]benzofuran.

Molecular Properties

Compound Name8-[3-(3-diphenylphosphorylphenyl)phenyl]naphtho[2,1-b][1]benzofuran
PubChem CID166031069
Molecular FormulaC40H27O2P
Molecular Weight570.63 g/mol
Exact Mass570.17
IUPAC Name8-[3-(3-diphenylphosphorylphenyl)phenyl]naphtho[2,1-b][1]benzofuran
SMILESO=P(c1ccccc1)(c1ccccc1)c1cccc(-c2cccc(-c3cccc4c3oc3ccc5ccccc5c34)c2)c1
InChIInChI=1S/C40H27O2P/c41-43(32-16-3-1-4-17-32,33-18-5-2-6-19-33)34-20-10-14-30(27-34)29-13-9-15-31(26-29)36-22-11-23-37-39-35-21-8-7-12-28(35)24-25-38(39)42-40(36)37/h1-27H
InChIKeyQRZDFQYMHYDMQP-UHFFFAOYSA-N
XLogP9.71
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.63
LogP ≤ 59.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(3-naphtho[2,1-b][1]benzofuran-8-ylphenyl)phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 134430112
4-[3-(3-diphenylphosphorylphenyl)phenyl]-6-naphthalen-1-yl-[1]benzofuro[2,3-c]quinoline
CID 146893250
2-[3-[3-(9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaen-7-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 139576754
2-[3-[3-(4-naphthalen-1-ylnaphtho[2,1-b][1]benzofuran-8-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 134430152
7-[3-(3,5-diphenylphenyl)phenyl]-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-nonaene
CID 162495178
6-(3-phenylphenyl)dibenzofuran-1-ol
CID 155038866
3-naphthalen-2-yl-N-(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)-N-(4-phenylphenyl)aniline
CID 170031195
6-[3-(3-diphenylphosphorylphenyl)phenyl]-2-(3-phenylphenyl)benzo[k]phenanthridine
CID 155249235
N,8-diphenyl-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-2-amine
CID 177130948
2-[10-(3-naphthalen-1-ylphenyl)naphtho[2,1-b][1]benzofuran-8-yl]-4,6-diphenyl-1,3,5-triazine
CID 167424108
6-[4-(3-diphenylphosphorylphenyl)phenyl]-2-naphthalen-2-yl-[1]benzofuro[2,3-c]quinoline
CID 161080060
1-diphenylphosphoryl-3-(3-diphenylphosphorylphenyl)benzene
CID 88865103

Frequently Asked Questions

What is the IUPAC name of 8-[3-(3-diphenylphosphorylphenyl)phenyl]naphtho[2,1-b][1]benzofuran?
The IUPAC name of 8-[3-(3-diphenylphosphorylphenyl)phenyl]naphtho[2,1-b][1]benzofuran (CID 166031069) is 8-[3-(3-diphenylphosphorylphenyl)phenyl]naphtho[2,1-b][1]benzofuran.
What is the SMILES notation for 8-[3-(3-diphenylphosphorylphenyl)phenyl]naphtho[2,1-b][1]benzofuran?
The canonical SMILES for 8-[3-(3-diphenylphosphorylphenyl)phenyl]naphtho[2,1-b][1]benzofuran is O=P(c1ccccc1)(c1ccccc1)c1cccc(-c2cccc(-c3cccc4c3oc3ccc5ccccc5c34)c2)c1.
What is the InChIKey of 8-[3-(3-diphenylphosphorylphenyl)phenyl]naphtho[2,1-b][1]benzofuran?
The InChIKey is QRZDFQYMHYDMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H27O2P/c41-43(32-16-3-1-4-17-32,33-18-5-2-6-19-33)34-20-10-14-30(27-34)29-13-9-15-31(26-29)36-22-11-23-37-39-35-21-8-7-12-28(35)24-25-38(39)42-40(36)37/h1-27H.
What are the key properties of 8-[3-(3-diphenylphosphorylphenyl)phenyl]naphtho[2,1-b][1]benzofuran?
8-[3-(3-diphenylphosphorylphenyl)phenyl]naphtho[2,1-b][1]benzofuran has a molecular weight of 570.63 g/mol, XLogP of 9.71, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(3-diphenylphosphorylphenyl)phenyl]naphtho[2,1-b][1]benzofuran is sourced from PubChem (CID 166031069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).