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]

C33H21Br2N — CID 126551793

IUPAC5',14'-dibromo-10-phenylspiro[acridine-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene]
SMILESBrc1ccc2c(c1)C1(c3cc(Br)ccc3C=C2)c2ccccc2N(c2ccccc2)c2ccccc21
InChIInChI=1S/C33H21Br2N/c34-24-18-16-22-14-15-23-17-19-25(35)21-30(23)33(29(22)20-24)27-10-4-6-12-31(27)36(26-8-2-1-3-9-26)32-13-7-5-11-28(32)33/h1-21H
InChIKeyCNNDJJFEPLMBRB-UHFFFAOYSA-N
MW591.35 g/mol
LogP9.86
Rot. Bonds1

About 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]

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] (PubChem CID 126551793) has the molecular formula C33H21Br2N and a molecular weight of 591.35 g/mol. Its IUPAC name is 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].

Molecular Properties

Compound Name5',14'-dibromo-10-phenylspiro[acridine-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene]
PubChem CID126551793
Molecular FormulaC33H21Br2N
Molecular Weight591.35 g/mol
Exact Mass589.00
IUPAC Name5',14'-dibromo-10-phenylspiro[acridine-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene]
SMILESBrc1ccc2c(c1)C1(c3cc(Br)ccc3C=C2)c2ccccc2N(c2ccccc2)c2ccccc21
InChIInChI=1S/C33H21Br2N/c34-24-18-16-22-14-15-23-17-19-25(35)21-30(23)33(29(22)20-24)27-10-4-6-12-31(27)36(26-8-2-1-3-9-26)32-13-7-5-11-28(32)33/h1-21H
InChIKeyCNNDJJFEPLMBRB-UHFFFAOYSA-N
XLogP9.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.35
LogP ≤ 59.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 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] 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

9-bromo-10'-phenylspiro[5,6-dihydrobenzo[c]fluorene-7,9'-acridine]
CID 142293637
5-bromo-10'-phenylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-acridine]
CID 147334151
9,9-bis(2-methylphenyl)-10-phenylacridine
CID 59470095
7-bromo-10'-phenylspiro[1,2,3,4-tetrahydroindeno[1,2-b]pyridine-5,9'-acridine]
CID 145412668
2,7-dibromo-9'-[[4-(2,7-dibromo-9',9'-diphenylspiro[acridine-9,10'-anthracene]-10-yl)phenyl]methyl]-9'-methyl-10-phenylspiro[acridine-9,10'-anthracene]
CID 123148117
3-(3-bromophenyl)-9,9,10-triphenylacridine
CID 121259219
5',10-diphenylspiro[acridine-9,10'-benzo[b][1]benzoborinine]
CID 153311869
2-bromo-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethylacridine
CID 172991970
10-phenyl-2',7'-bis(10-phenylspiro[acridine-9,9'-fluorene]-2'-yl)spiro[acridine-9,9'-fluorene]
CID 102164734
10-[4-(9,9-diphenylacridin-10-yl)phenyl]-9,9-diphenylacridine
CID 59399598
2-phenyl-10,10'-bis(4-phenylphenyl)-9,9'-spirobi[acridine]
CID 118465104
11-phenylbenzo[b][1]benzazepine
CID 11514559

Frequently Asked Questions

What is the IUPAC name of 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]?
The IUPAC name of 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) is 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].
What is the SMILES notation for 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]?
The canonical SMILES for 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] is Brc1ccc2c(c1)C1(c3cc(Br)ccc3C=C2)c2ccccc2N(c2ccccc2)c2ccccc21.
What is the InChIKey of 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]?
The InChIKey is CNNDJJFEPLMBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H21Br2N/c34-24-18-16-22-14-15-23-17-19-25(35)21-30(23)33(29(22)20-24)27-10-4-6-12-31(27)36(26-8-2-1-3-9-26)32-13-7-5-11-28(32)33/h1-21H.
What are the key properties of 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]?
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] has a molecular weight of 591.35 g/mol, XLogP of 9.86, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 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] is sourced from PubChem (CID 126551793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).