5',10-diphenylspiro[acridine-9,10'-benzo[b][1]benzoborinine]

C37H26BN — CID 153311869

IUPAC5',10-diphenylspiro[acridine-9,10'-benzo[b][1]benzoborinine]
SMILESc1ccc(B2c3ccccc3C3(c4ccccc42)c2ccccc2N(c2ccccc2)c2ccccc23)cc1
InChIInChI=1S/C37H26BN/c1-3-15-27(16-4-1)38-33-23-11-7-19-29(33)37(30-20-8-12-24-34(30)38)31-21-9-13-25-35(31)39(28-17-5-2-6-18-28)36-26-14-10-22-32(36)37/h1-26H
InChIKeyITPCWTRCILSZFL-UHFFFAOYSA-N
MW495.43 g/mol
LogP6.68
Rot. Bonds2

About 5',10-diphenylspiro[acridine-9,10'-benzo[b][1]benzoborinine]

5',10-diphenylspiro[acridine-9,10'-benzo[b][1]benzoborinine] (PubChem CID 153311869) has the molecular formula C37H26BN and a molecular weight of 495.43 g/mol. Its IUPAC name is 5',10-diphenylspiro[acridine-9,10'-benzo[b][1]benzoborinine].

Molecular Properties

Compound Name5',10-diphenylspiro[acridine-9,10'-benzo[b][1]benzoborinine]
PubChem CID153311869
Molecular FormulaC37H26BN
Molecular Weight495.43 g/mol
Exact Mass495.22
IUPAC Name5',10-diphenylspiro[acridine-9,10'-benzo[b][1]benzoborinine]
SMILESc1ccc(B2c3ccccc3C3(c4ccccc42)c2ccccc2N(c2ccccc2)c2ccccc23)cc1
InChIInChI=1S/C37H26BN/c1-3-15-27(16-4-1)38-33-23-11-7-19-29(33)37(30-20-8-12-24-34(30)38)31-21-9-13-25-35(31)39(28-17-5-2-6-18-28)36-26-14-10-22-32(36)37/h1-26H
InChIKeyITPCWTRCILSZFL-UHFFFAOYSA-N
XLogP6.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.43
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5',10-diphenylspiro[acridine-9,10'-benzo[b][1]benzoborinine] with MolForge

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Related Compounds

8,10'-diphenylspiro[1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene-14,9'-acridine]
CID 155605491
5',8-diphenylspiro[1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene-14,10'-benzo[b][1]benzoborinine]
CID 155605562
9,9-bis(2-methylphenyl)-10-phenylacridine
CID 59470095
CID 148566155
CID 148566155
10-[4-(9,9-diphenylacridin-10-yl)phenyl]-9,9-diphenylacridine
CID 59399598
5',14'-dibromo-10-phenylspiro[acridine-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene]
CID 126551793
10-phenyl-2',7'-bis(10-phenylspiro[acridine-9,9'-fluorene]-2'-yl)spiro[acridine-9,9'-fluorene]
CID 102164734
8',8',22',22'-tetramethyl-8-phenylspiro[1,8-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,14'-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene]
CID 153311854
10-phenyl-5-[4-[phenyl-[4-(10-phenylbenzo[b][1,4]benzazaborinin-5-yl)phenyl]phosphoryl]phenyl]benzo[b][1,4]benzazaborinine
CID 158414662
10-phenyl-9,9-dipyridin-2-ylacridine
CID 58029185
2-phenyl-10,10'-bis(4-phenylphenyl)-9,9'-spirobi[acridine]
CID 118465104
14,24-diphenyl-19-thia-1,14-diaza-7,24-diboraoctacyclo[18.10.2.215,18.12,6.07,16.08,13.023,31.025,30]pentatriaconta-2,4,6(35),8,10,12,15,17,20(32),21,23(31),25,27,29,33-pentadecaene
CID 149199847

Frequently Asked Questions

What is the IUPAC name of 5',10-diphenylspiro[acridine-9,10'-benzo[b][1]benzoborinine]?
The IUPAC name of 5',10-diphenylspiro[acridine-9,10'-benzo[b][1]benzoborinine] (CID 153311869) is 5',10-diphenylspiro[acridine-9,10'-benzo[b][1]benzoborinine].
What is the SMILES notation for 5',10-diphenylspiro[acridine-9,10'-benzo[b][1]benzoborinine]?
The canonical SMILES for 5',10-diphenylspiro[acridine-9,10'-benzo[b][1]benzoborinine] is c1ccc(B2c3ccccc3C3(c4ccccc42)c2ccccc2N(c2ccccc2)c2ccccc23)cc1.
What is the InChIKey of 5',10-diphenylspiro[acridine-9,10'-benzo[b][1]benzoborinine]?
The InChIKey is ITPCWTRCILSZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H26BN/c1-3-15-27(16-4-1)38-33-23-11-7-19-29(33)37(30-20-8-12-24-34(30)38)31-21-9-13-25-35(31)39(28-17-5-2-6-18-28)36-26-14-10-22-32(36)37/h1-26H.
What are the key properties of 5',10-diphenylspiro[acridine-9,10'-benzo[b][1]benzoborinine]?
5',10-diphenylspiro[acridine-9,10'-benzo[b][1]benzoborinine] has a molecular weight of 495.43 g/mol, XLogP of 6.68, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5',10-diphenylspiro[acridine-9,10'-benzo[b][1]benzoborinine] is sourced from PubChem (CID 153311869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).