4'-(2-nitrophenyl)-10-phenylspiro[acridine-9,9'-fluorene]

C37H24N2O2 — CID 118104063

IUPAC4'-(2-nitrophenyl)-10-phenylspiro[acridine-9,9'-fluorene]
SMILESO=[N+]([O-])c1ccccc1-c1cccc2c1-c1ccccc1C21c2ccccc2N(c2ccccc2)c2ccccc21
InChIInChI=1S/C37H24N2O2/c40-39(41)33-22-9-5-15-26(33)27-17-12-21-32-36(27)28-16-4-6-18-29(28)37(32)30-19-7-10-23-34(30)38(25-13-2-1-3-14-25)35-24-11-8-20-31(35)37/h1-24H
InChIKeyBPYPDKQTNIKLBY-UHFFFAOYSA-N
MW528.61 g/mol
LogP9.41
Rot. Bonds3

About 4'-(2-nitrophenyl)-10-phenylspiro[acridine-9,9'-fluorene]

4'-(2-nitrophenyl)-10-phenylspiro[acridine-9,9'-fluorene] (PubChem CID 118104063) has the molecular formula C37H24N2O2 and a molecular weight of 528.61 g/mol. Its IUPAC name is 4'-(2-nitrophenyl)-10-phenylspiro[acridine-9,9'-fluorene].

Molecular Properties

Compound Name4'-(2-nitrophenyl)-10-phenylspiro[acridine-9,9'-fluorene]
PubChem CID118104063
Molecular FormulaC37H24N2O2
Molecular Weight528.61 g/mol
Exact Mass528.18
IUPAC Name4'-(2-nitrophenyl)-10-phenylspiro[acridine-9,9'-fluorene]
SMILESO=[N+]([O-])c1ccccc1-c1cccc2c1-c1ccccc1C21c2ccccc2N(c2ccccc2)c2ccccc21
InChIInChI=1S/C37H24N2O2/c40-39(41)33-22-9-5-15-26(33)27-17-12-21-32-36(27)28-16-4-6-18-29(28)37(32)30-19-7-10-23-34(30)38(25-13-2-1-3-14-25)35-24-11-8-20-31(35)37/h1-24H
InChIKeyBPYPDKQTNIKLBY-UHFFFAOYSA-N
XLogP9.41
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.61
LogP ≤ 59.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

10-(4-nitrophenyl)spiro[acridine-9,9'-fluorene]
CID 143268859
9,9-dimethyl-4-(2-nitrophenyl)fluorene
CID 175669556
4'-[10-(4,5-diphenylanthracen-9-yl)-8-(10-phenylspiro[acridine-9,9'-fluorene]-4'-yl)anthracen-1-yl]-10-phenylspiro[acridine-9,9'-fluorene]
CID 155333996
4'-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-10-phenylspiro[acridine-9,9'-fluorene]
CID 146495788
N,N,10-triphenylspiro[acridine-9,9'-fluorene]-4'-amine
CID 134309245
4'-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]
CID 139521327
10-phenyl-4'-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[acridine-9,9'-fluorene]
CID 139521151
N,10-diphenyl-N-[2-(4-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-4'-amine
CID 135166793
10-phenyl-4'-[6-phenyl-4-(3-phenylphenyl)-2-pyridinyl]spiro[acridine-9,9'-fluorene]
CID 146663709
10-phenyl-N-[2-(2-phenylphenyl)phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)spiro[acridine-9,9'-fluorene]-4'-amine
CID 135166841
10-phenyl-4'-[10-(3-phenylnaphthalen-1-yl)-8-(10-phenylspiro[acridine-9,9'-fluorene]-4'-yl)anthracen-1-yl]spiro[acridine-9,9'-fluorene]
CID 155332991
10-phenyl-2',7'-bis(10-phenylspiro[acridine-9,9'-fluorene]-2'-yl)spiro[acridine-9,9'-fluorene]
CID 102164734

Frequently Asked Questions

What is the IUPAC name of 4'-(2-nitrophenyl)-10-phenylspiro[acridine-9,9'-fluorene]?
The IUPAC name of 4'-(2-nitrophenyl)-10-phenylspiro[acridine-9,9'-fluorene] (CID 118104063) is 4'-(2-nitrophenyl)-10-phenylspiro[acridine-9,9'-fluorene].
What is the SMILES notation for 4'-(2-nitrophenyl)-10-phenylspiro[acridine-9,9'-fluorene]?
The canonical SMILES for 4'-(2-nitrophenyl)-10-phenylspiro[acridine-9,9'-fluorene] is O=[N+]([O-])c1ccccc1-c1cccc2c1-c1ccccc1C21c2ccccc2N(c2ccccc2)c2ccccc21.
What is the InChIKey of 4'-(2-nitrophenyl)-10-phenylspiro[acridine-9,9'-fluorene]?
The InChIKey is BPYPDKQTNIKLBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H24N2O2/c40-39(41)33-22-9-5-15-26(33)27-17-12-21-32-36(27)28-16-4-6-18-29(28)37(32)30-19-7-10-23-34(30)38(25-13-2-1-3-14-25)35-24-11-8-20-31(35)37/h1-24H.
What are the key properties of 4'-(2-nitrophenyl)-10-phenylspiro[acridine-9,9'-fluorene]?
4'-(2-nitrophenyl)-10-phenylspiro[acridine-9,9'-fluorene] has a molecular weight of 528.61 g/mol, XLogP of 9.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-(2-nitrophenyl)-10-phenylspiro[acridine-9,9'-fluorene] is sourced from PubChem (CID 118104063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).