8'-[8-(3-diphenylphosphorylphenyl)dibenzofuran-4-yl]spiro[adamantane-2,5'-indeno[1,2-b]pyridine]

C51H40NO2P — CID 167268531

IUPAC8'-[8-(3-diphenylphosphorylphenyl)dibenzofuran-4-yl]spiro[adamantane-2,5'-indeno[1,2-b]pyridine]
SMILESO=P(c1ccccc1)(c1ccccc1)c1cccc(-c2ccc3oc4c(-c5ccc6c(c5)-c5ncccc5C65C6CC7CC(C6)CC5C7)cccc4c3c2)c1
InChIInChI=1S/C51H40NO2P/c53-55(39-11-3-1-4-12-39,40-13-5-2-6-14-40)41-15-7-10-34(29-41)35-20-22-48-44(30-35)43-17-8-16-42(50(43)54-48)36-19-21-46-45(31-36)49-47(18-9-23-52-49)51(46)37-25-32-24-33(27-37)28-38(51)26-32/h1-23,29-33,37-38H,24-28H2
InChIKeyMRRLGQJMQAVURI-UHFFFAOYSA-N
MW729.86 g/mol
LogP11.68
Rot. Bonds5

About 8'-[8-(3-diphenylphosphorylphenyl)dibenzofuran-4-yl]spiro[adamantane-2,5'-indeno[1,2-b]pyridine]

8'-[8-(3-diphenylphosphorylphenyl)dibenzofuran-4-yl]spiro[adamantane-2,5'-indeno[1,2-b]pyridine] (PubChem CID 167268531) has the molecular formula C51H40NO2P and a molecular weight of 729.86 g/mol. Its IUPAC name is 8'-[8-(3-diphenylphosphorylphenyl)dibenzofuran-4-yl]spiro[adamantane-2,5'-indeno[1,2-b]pyridine].

Molecular Properties

Compound Name8'-[8-(3-diphenylphosphorylphenyl)dibenzofuran-4-yl]spiro[adamantane-2,5'-indeno[1,2-b]pyridine]
PubChem CID167268531
Molecular FormulaC51H40NO2P
Molecular Weight729.86 g/mol
Exact Mass729.28
IUPAC Name8'-[8-(3-diphenylphosphorylphenyl)dibenzofuran-4-yl]spiro[adamantane-2,5'-indeno[1,2-b]pyridine]
SMILESO=P(c1ccccc1)(c1ccccc1)c1cccc(-c2ccc3oc4c(-c5ccc6c(c5)-c5ncccc5C65C6CC7CC(C6)CC5C7)cccc4c3c2)c1
InChIInChI=1S/C51H40NO2P/c53-55(39-11-3-1-4-12-39,40-13-5-2-6-14-40)41-15-7-10-34(29-41)35-20-22-48-44(30-35)43-17-8-16-42(50(43)54-48)36-19-21-46-45(31-36)49-47(18-9-23-52-49)51(46)37-25-32-24-33(27-37)28-38(51)26-32/h1-23,29-33,37-38H,24-28H2
InChIKeyMRRLGQJMQAVURI-UHFFFAOYSA-N
XLogP11.68
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.86
LogP ≤ 511.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 8'-[8-(3-diphenylphosphorylphenyl)dibenzofuran-4-yl]spiro[adamantane-2,5'-indeno[1,2-b]pyridine] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(6'-dibenzofuran-4-ylspiro[adamantane-2,9'-fluorene]-3'-yl)phenyl]dibenzofuran
CID 168803731
N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 156573656
2-(3-dibenzofuran-4-ylphenyl)-4-[3-(3-phenylphenyl)phenyl]-6-spiro[adamantane-2,12'-indeno[2,1-a]oxanthrene]-9'-yl-1,3,5-triazine
CID 168834420
2-(4-dibenzofuran-4-ylphenyl)-4-phenyl-6-spiro[adamantane-2,9'-xanthene]-3'-yl-1,3,5-triazine
CID 166017896
8-[3-(3-diphenylphosphorylphenyl)phenyl]naphtho[2,1-b][1]benzofuran
CID 166031069
N,N-bis(4-phenylphenyl)-6-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-1-amine;N,N-bis(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-1'-yldibenzofuran-3-amine;N,N-bis(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-2'-yldibenzofuran-2-amine;N,N-bis(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine;N,N-bis(4-phenylphenyl)-8-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-2-amine
CID 163638025
1-(4-phenanthren-2-ylphenyl)-4-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran
CID 168803567
4-naphthalen-1-yl-1-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran
CID 168803856
N-(4-phenylphenyl)-N-[4-[3-(2-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)phenyl]phenyl]dibenzofuran-3-amine;N-(4-phenylphenyl)-N-[4-[3-(3-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)phenyl]phenyl]dibenzofuran-1-amine;N-(4-phenylphenyl)-N-[4-[4-(2-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)phenyl]phenyl]dibenzofuran-3-amine;N-(4-phenylphenyl)-N-[4-[4-(3-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)phenyl]phenyl]dibenzofuran-2-amine;N-(4-phenylphenyl)-N-[4-[4-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 163902822
2-[3-dibenzofuran-2-yl-5-(6'-phenylspiro[adamantane-2,9'-fluorene]-2'-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 164811674
5-dibenzofuran-4-yl-9-(3-phenylphenyl)spiro[9,15-diaza-2-boraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(27),3(8),4,6,10(28),11,13,16,18,20,23,25-dodecaene-22,2'-adamantane]
CID 165165231
2-[3-(4'-dibenzofuran-4-ylspiro[adamantane-2,9'-fluorene]-3'-yl)phenyl]-4,6-diphenylpyrimidine
CID 168803641

Frequently Asked Questions

What is the IUPAC name of 8'-[8-(3-diphenylphosphorylphenyl)dibenzofuran-4-yl]spiro[adamantane-2,5'-indeno[1,2-b]pyridine]?
The IUPAC name of 8'-[8-(3-diphenylphosphorylphenyl)dibenzofuran-4-yl]spiro[adamantane-2,5'-indeno[1,2-b]pyridine] (CID 167268531) is 8'-[8-(3-diphenylphosphorylphenyl)dibenzofuran-4-yl]spiro[adamantane-2,5'-indeno[1,2-b]pyridine].
What is the SMILES notation for 8'-[8-(3-diphenylphosphorylphenyl)dibenzofuran-4-yl]spiro[adamantane-2,5'-indeno[1,2-b]pyridine]?
The canonical SMILES for 8'-[8-(3-diphenylphosphorylphenyl)dibenzofuran-4-yl]spiro[adamantane-2,5'-indeno[1,2-b]pyridine] is O=P(c1ccccc1)(c1ccccc1)c1cccc(-c2ccc3oc4c(-c5ccc6c(c5)-c5ncccc5C65C6CC7CC(C6)CC5C7)cccc4c3c2)c1.
What is the InChIKey of 8'-[8-(3-diphenylphosphorylphenyl)dibenzofuran-4-yl]spiro[adamantane-2,5'-indeno[1,2-b]pyridine]?
The InChIKey is MRRLGQJMQAVURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H40NO2P/c53-55(39-11-3-1-4-12-39,40-13-5-2-6-14-40)41-15-7-10-34(29-41)35-20-22-48-44(30-35)43-17-8-16-42(50(43)54-48)36-19-21-46-45(31-36)49-47(18-9-23-52-49)51(46)37-25-32-24-33(27-37)28-38(51)26-32/h1-23,29-33,37-38H,24-28H2.
What are the key properties of 8'-[8-(3-diphenylphosphorylphenyl)dibenzofuran-4-yl]spiro[adamantane-2,5'-indeno[1,2-b]pyridine]?
8'-[8-(3-diphenylphosphorylphenyl)dibenzofuran-4-yl]spiro[adamantane-2,5'-indeno[1,2-b]pyridine] has a molecular weight of 729.86 g/mol, XLogP of 11.68, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8'-[8-(3-diphenylphosphorylphenyl)dibenzofuran-4-yl]spiro[adamantane-2,5'-indeno[1,2-b]pyridine] is sourced from PubChem (CID 167268531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).