2-phenyl-10,10'-bis(4-phenylphenyl)-9,9'-spirobi[acridine]

C55H38N2 — CID 118465104

IUPAC2-phenyl-10,10'-bis(4-phenylphenyl)-9,9'-spirobi[acridine]
SMILESc1ccc(-c2ccc(N3c4ccccc4C4(c5ccccc53)c3ccccc3N(c3ccc(-c5ccccc5)cc3)c3ccc(-c5ccccc5)cc34)cc2)cc1
InChIInChI=1S/C55H38N2/c1-4-16-39(17-5-1)42-28-33-45(34-29-42)56-51-25-13-10-22-47(51)55(48-23-11-14-26-52(48)56)49-24-12-15-27-53(49)57(46-35-30-43(31-36-46)40-18-6-2-7-19-40)54-37-32-44(38-50(54)55)41-20-8-3-9-21-41/h1-38H
InChIKeyZRXDAJSILQHQLX-UHFFFAOYSA-N
MW726.92 g/mol
LogP14.64
Rot. Bonds5

About 2-phenyl-10,10'-bis(4-phenylphenyl)-9,9'-spirobi[acridine]

2-phenyl-10,10'-bis(4-phenylphenyl)-9,9'-spirobi[acridine] (PubChem CID 118465104) has the molecular formula C55H38N2 and a molecular weight of 726.92 g/mol. Its IUPAC name is 2-phenyl-10,10'-bis(4-phenylphenyl)-9,9'-spirobi[acridine].

Molecular Properties

Compound Name2-phenyl-10,10'-bis(4-phenylphenyl)-9,9'-spirobi[acridine]
PubChem CID118465104
Molecular FormulaC55H38N2
Molecular Weight726.92 g/mol
Exact Mass726.30
IUPAC Name2-phenyl-10,10'-bis(4-phenylphenyl)-9,9'-spirobi[acridine]
SMILESc1ccc(-c2ccc(N3c4ccccc4C4(c5ccccc53)c3ccccc3N(c3ccc(-c5ccccc5)cc3)c3ccc(-c5ccccc5)cc34)cc2)cc1
InChIInChI=1S/C55H38N2/c1-4-16-39(17-5-1)42-28-33-45(34-29-42)56-51-25-13-10-22-47(51)55(48-23-11-14-26-52(48)56)49-24-12-15-27-53(49)57(46-35-30-43(31-36-46)40-18-6-2-7-19-40)54-37-32-44(38-50(54)55)41-20-8-3-9-21-41/h1-38H
InChIKeyZRXDAJSILQHQLX-UHFFFAOYSA-N
XLogP14.64
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500726.92
LogP ≤ 514.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-phenyl-10,10'-bis(4-phenylphenyl)-9,9'-spirobi[acridine] 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

10'-[3-(4-tert-butylphenyl)phenyl]-2'-phenyl-10-(4-phenylphenyl)-9,9'-spirobi[acridine]
CID 171799183
10'-[3-methyl-4-(2-methylphenyl)phenyl]-2,2'-diphenyl-10-(4-phenylphenyl)-9,9'-spirobi[acridine]
CID 118465139
10-[4-[3-[3-[4-(9,9-diphenylacridin-10-yl)phenyl]phenyl]phenyl]phenyl]-9,9-diphenylacridine
CID 59470076
10'-(3-phenylphenyl)-10-(4-phenylphenyl)-2'-(trifluoromethyl)-9,9'-spirobi[acridine]
CID 176670445
10,10'-bis(4-dibenzothiophen-1-ylphenyl)-2-phenyl-9,9'-spirobi[acridine]
CID 118465174
2-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene];10-phenyl-2-[3-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]spiro[acridine-9,9'-fluorene];10-phenyl-2-[3-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]spiro[acridine-9,9'-fluorene];10-phenyl-2-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[acridine-9,9'-fluorene]
CID 158956061
10-phenyl-2',7'-bis(10-phenylspiro[acridine-9,9'-fluorene]-2'-yl)spiro[acridine-9,9'-fluorene]
CID 102164734
10,10'-bis(4-dibenzothiophen-4-ylphenyl)-2,2'-diphenyl-9,9'-spirobi[acridine]
CID 118465119
9,9-dimethyl-2,7-diphenyl-10-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]acridine
CID 168750142
2'-fluoro-10,10'-bis(4-phenylphenyl)-2-(trifluoromethyl)-9,9'-spirobi[acridine]
CID 176670484
2-tert-butyl-9,9-bis(2-methylphenyl)-10-(4-phenylphenyl)acridine;1-methyl-4-phenylbenzene
CID 176670386
2'-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]
CID 139521181

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-10,10'-bis(4-phenylphenyl)-9,9'-spirobi[acridine]?
The IUPAC name of 2-phenyl-10,10'-bis(4-phenylphenyl)-9,9'-spirobi[acridine] (CID 118465104) is 2-phenyl-10,10'-bis(4-phenylphenyl)-9,9'-spirobi[acridine].
What is the SMILES notation for 2-phenyl-10,10'-bis(4-phenylphenyl)-9,9'-spirobi[acridine]?
The canonical SMILES for 2-phenyl-10,10'-bis(4-phenylphenyl)-9,9'-spirobi[acridine] is c1ccc(-c2ccc(N3c4ccccc4C4(c5ccccc53)c3ccccc3N(c3ccc(-c5ccccc5)cc3)c3ccc(-c5ccccc5)cc34)cc2)cc1.
What is the InChIKey of 2-phenyl-10,10'-bis(4-phenylphenyl)-9,9'-spirobi[acridine]?
The InChIKey is ZRXDAJSILQHQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H38N2/c1-4-16-39(17-5-1)42-28-33-45(34-29-42)56-51-25-13-10-22-47(51)55(48-23-11-14-26-52(48)56)49-24-12-15-27-53(49)57(46-35-30-43(31-36-46)40-18-6-2-7-19-40)54-37-32-44(38-50(54)55)41-20-8-3-9-21-41/h1-38H.
What are the key properties of 2-phenyl-10,10'-bis(4-phenylphenyl)-9,9'-spirobi[acridine]?
2-phenyl-10,10'-bis(4-phenylphenyl)-9,9'-spirobi[acridine] has a molecular weight of 726.92 g/mol, XLogP of 14.64, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-10,10'-bis(4-phenylphenyl)-9,9'-spirobi[acridine] is sourced from PubChem (CID 118465104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).