2'-dibenzofuran-4-yl-5'-phenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-acridophosphine] 5'-oxide

C49H30NO2P — CID 135140085

IUPAC2'-dibenzofuran-4-yl-5'-phenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-acridophosphine] 5'-oxide
SMILESO=P1(c2ccccc2)c2ccccc2C2(c3ccccc3-n3c4ccccc4c4cccc2c43)c2cc(-c3cccc4c3oc3ccccc34)ccc21
InChIInChI=1S/C49H30NO2P/c51-53(32-14-2-1-3-15-32)45-27-11-7-22-39(45)49(38-21-6-9-25-43(38)50-42-24-8-4-16-34(42)36-19-13-23-40(49)47(36)50)41-30-31(28-29-46(41)53)33-18-12-20-37-35-17-5-10-26-44(35)52-48(33)37/h1-30H
InChIKeySLOFEZMPCWMHIP-UHFFFAOYSA-N
MW695.76 g/mol
LogP11.00
Rot. Bonds2

About 2'-dibenzofuran-4-yl-5'-phenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-acridophosphine] 5'-oxide

2'-dibenzofuran-4-yl-5'-phenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-acridophosphine] 5'-oxide (PubChem CID 135140085) has the molecular formula C49H30NO2P and a molecular weight of 695.76 g/mol. Its IUPAC name is 2'-dibenzofuran-4-yl-5'-phenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-acridophosphine] 5'-oxide.

Molecular Properties

Compound Name2'-dibenzofuran-4-yl-5'-phenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-acridophosphine] 5'-oxide
PubChem CID135140085
Molecular FormulaC49H30NO2P
Molecular Weight695.76 g/mol
Exact Mass695.20
IUPAC Name2'-dibenzofuran-4-yl-5'-phenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-acridophosphine] 5'-oxide
SMILESO=P1(c2ccccc2)c2ccccc2C2(c3ccccc3-n3c4ccccc4c4cccc2c43)c2cc(-c3cccc4c3oc3ccccc34)ccc21
InChIInChI=1S/C49H30NO2P/c51-53(32-14-2-1-3-15-32)45-27-11-7-22-39(45)49(38-21-6-9-25-43(38)50-42-24-8-4-16-34(42)36-19-13-23-40(49)47(36)50)41-30-31(28-29-46(41)53)33-18-12-20-37-35-17-5-10-26-44(35)52-48(33)37/h1-30H
InChIKeySLOFEZMPCWMHIP-UHFFFAOYSA-N
XLogP11.00
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500695.76
LogP ≤ 511.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2'-dibenzofuran-4-yl-5'-phenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-acridophosphine] 5'-oxide with MolForge

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Related Compounds

2'-naphthalen-1-yl-5'-phenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-acridophosphine] 5'-oxide
CID 135140069
5'-phenyl-2'-(9-phenylcarbazol-3-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-acridophosphine] 5'-oxide
CID 135140078
4-(5'-oxo-5'-phenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-acridophosphine]-2'-yl)benzonitrile
CID 135140088
5'-phenyl-3'-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-acridophosphine] 5'-oxide
CID 135140361
N-(9,9-dimethylfluoren-2-yl)-5'-oxo-5'-phenyl-N-(2-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-acridophosphine]-2'-amine
CID 135140103
N-(4-dibenzofuran-4-ylphenyl)-2-(2-phenylphenyl)-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylphenyl)aniline
CID 135166911
(5-dibenzofuran-4-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-17-yl)-diphenyl-(4-phenylphenyl)silane
CID 169044622
16-dibenzofuran-2-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]
CID 90246665
N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylphenyl)fluoren-4-amine
CID 135168605
3'-bromo-5'-phenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-acridophosphine] 5'-oxide;4-(5'-oxo-5'-phenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-acridophosphine]-3'-yl)-N,N-diphenylaniline;[4-(N-phenylanilino)phenyl]boronic acid
CID 158859484
2'-dibenzofuran-2-yl-10',10'-dimethylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-anthracene]
CID 135140041
N-[2-(2,3-dimethyl-1-benzofuran-5-yl)phenyl]-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,7'-fluoreno[4,3-b][1]benzofuran]-10'-amine
CID 155061831

Frequently Asked Questions

What is the IUPAC name of 2'-dibenzofuran-4-yl-5'-phenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-acridophosphine] 5'-oxide?
The IUPAC name of 2'-dibenzofuran-4-yl-5'-phenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-acridophosphine] 5'-oxide (CID 135140085) is 2'-dibenzofuran-4-yl-5'-phenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-acridophosphine] 5'-oxide.
What is the SMILES notation for 2'-dibenzofuran-4-yl-5'-phenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-acridophosphine] 5'-oxide?
The canonical SMILES for 2'-dibenzofuran-4-yl-5'-phenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-acridophosphine] 5'-oxide is O=P1(c2ccccc2)c2ccccc2C2(c3ccccc3-n3c4ccccc4c4cccc2c43)c2cc(-c3cccc4c3oc3ccccc34)ccc21.
What is the InChIKey of 2'-dibenzofuran-4-yl-5'-phenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-acridophosphine] 5'-oxide?
The InChIKey is SLOFEZMPCWMHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H30NO2P/c51-53(32-14-2-1-3-15-32)45-27-11-7-22-39(45)49(38-21-6-9-25-43(38)50-42-24-8-4-16-34(42)36-19-13-23-40(49)47(36)50)41-30-31(28-29-46(41)53)33-18-12-20-37-35-17-5-10-26-44(35)52-48(33)37/h1-30H.
What are the key properties of 2'-dibenzofuran-4-yl-5'-phenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-acridophosphine] 5'-oxide?
2'-dibenzofuran-4-yl-5'-phenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-acridophosphine] 5'-oxide has a molecular weight of 695.76 g/mol, XLogP of 11.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-dibenzofuran-4-yl-5'-phenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-acridophosphine] 5'-oxide is sourced from PubChem (CID 135140085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).