1'-(4-diphenylphosphorylphenyl)-10-phenylspiro[acridine-9,9'-fluorene]

C49H34NOP — CID 140910449

IUPAC1'-(4-diphenylphosphorylphenyl)-10-phenylspiro[acridine-9,9'-fluorene]
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc(-c2cccc3c2C2(c4ccccc4-3)c3ccccc3N(c3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C49H34NOP/c51-52(37-19-6-2-7-20-37,38-21-8-3-9-22-38)39-33-31-35(32-34-39)40-24-16-25-42-41-23-10-11-26-43(41)49(48(40)42)44-27-12-14-29-46(44)50(36-17-4-1-5-18-36)47-30-15-13-28-45(47)49/h1-34H
InChIKeyBMWWTTHCNGDVFE-UHFFFAOYSA-N
MW683.79 g/mol
LogP11.14
Rot. Bonds5

About 1'-(4-diphenylphosphorylphenyl)-10-phenylspiro[acridine-9,9'-fluorene]

1'-(4-diphenylphosphorylphenyl)-10-phenylspiro[acridine-9,9'-fluorene] (PubChem CID 140910449) has the molecular formula C49H34NOP and a molecular weight of 683.79 g/mol. Its IUPAC name is 1'-(4-diphenylphosphorylphenyl)-10-phenylspiro[acridine-9,9'-fluorene].

Molecular Properties

Compound Name1'-(4-diphenylphosphorylphenyl)-10-phenylspiro[acridine-9,9'-fluorene]
PubChem CID140910449
Molecular FormulaC49H34NOP
Molecular Weight683.79 g/mol
Exact Mass683.24
IUPAC Name1'-(4-diphenylphosphorylphenyl)-10-phenylspiro[acridine-9,9'-fluorene]
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc(-c2cccc3c2C2(c4ccccc4-3)c3ccccc3N(c3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C49H34NOP/c51-52(37-19-6-2-7-20-37,38-21-8-3-9-22-38)39-33-31-35(32-34-39)40-24-16-25-42-41-23-10-11-26-43(41)49(48(40)42)44-27-12-14-29-46(44)50(36-17-4-1-5-18-36)47-30-15-13-28-45(47)49/h1-34H
InChIKeyBMWWTTHCNGDVFE-UHFFFAOYSA-N
XLogP11.14
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500683.79
LogP ≤ 511.14
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

10-phenyl-1'-[4-(4-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]
CID 135293730
4-(10-phenylspiro[acridine-9,9'-fluorene]-1'-yl)benzonitrile
CID 140910428
4'-(4-diphenylphosphorylphenyl)-2',10-diphenylspiro[acridine-9,9'-indeno[2,1-d]pyrimidine]
CID 118372562
1'-[3-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]
CID 167178072
10-phenyl-2',7'-bis(10-phenylspiro[acridine-9,9'-fluorene]-2'-yl)spiro[acridine-9,9'-fluorene]
CID 102164734
10-phenyl-1'-[6-(10-phenylanthracen-9-yl)-3-pyridinyl]spiro[acridine-9,9'-fluorene]
CID 142353689
3'-[3-[8-[4-[4'-(4-diphenylphosphorylphenyl)spiro[acridine-9,9'-fluorene]-10-yl]phenyl]-2-phenylquinolin-5-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]
CID 167178141
2',7'-bis(4-diphenylphosphorylphenyl)-9,9'-spirobi[fluorene]
CID 176589935
4',10-diphenyl-2'-(4-phenylphenyl)spiro[acridine-9,5'-indeno[1,2-d]pyrimidine]
CID 118372549
1'-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-10-phenylspiro[acridine-9,9'-fluorene]
CID 140910464
3'-[3-(4-methylphenyl)phenyl]-10-phenylspiro[acridine-9,9'-fluorene];toluene
CID 145334426
10-phenyl-3-pyridin-4-ylspiro[acridine-9,9'-fluorene]
CID 146495033

Frequently Asked Questions

What is the IUPAC name of 1'-(4-diphenylphosphorylphenyl)-10-phenylspiro[acridine-9,9'-fluorene]?
The IUPAC name of 1'-(4-diphenylphosphorylphenyl)-10-phenylspiro[acridine-9,9'-fluorene] (CID 140910449) is 1'-(4-diphenylphosphorylphenyl)-10-phenylspiro[acridine-9,9'-fluorene].
What is the SMILES notation for 1'-(4-diphenylphosphorylphenyl)-10-phenylspiro[acridine-9,9'-fluorene]?
The canonical SMILES for 1'-(4-diphenylphosphorylphenyl)-10-phenylspiro[acridine-9,9'-fluorene] is O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2cccc3c2C2(c4ccccc4-3)c3ccccc3N(c3ccccc3)c3ccccc32)cc1.
What is the InChIKey of 1'-(4-diphenylphosphorylphenyl)-10-phenylspiro[acridine-9,9'-fluorene]?
The InChIKey is BMWWTTHCNGDVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H34NOP/c51-52(37-19-6-2-7-20-37,38-21-8-3-9-22-38)39-33-31-35(32-34-39)40-24-16-25-42-41-23-10-11-26-43(41)49(48(40)42)44-27-12-14-29-46(44)50(36-17-4-1-5-18-36)47-30-15-13-28-45(47)49/h1-34H.
What are the key properties of 1'-(4-diphenylphosphorylphenyl)-10-phenylspiro[acridine-9,9'-fluorene]?
1'-(4-diphenylphosphorylphenyl)-10-phenylspiro[acridine-9,9'-fluorene] has a molecular weight of 683.79 g/mol, XLogP of 11.14, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(4-diphenylphosphorylphenyl)-10-phenylspiro[acridine-9,9'-fluorene] is sourced from PubChem (CID 140910449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).