7-bromo-10'-phenylspiro[1,2,3,4-tetrahydroindeno[1,2-b]pyridine-5,9'-acridine]

C30H23BrN2 — CID 145412668

IUPAC7-bromo-10'-phenylspiro[1,2,3,4-tetrahydroindeno[1,2-b]pyridine-5,9'-acridine]
SMILESBrc1ccc2c(c1)C1(C3=C2NCCC3)c2ccccc2N(c2ccccc2)c2ccccc21
InChIInChI=1S/C30H23BrN2/c31-20-16-17-22-26(19-20)30(25-13-8-18-32-29(22)25)23-11-4-6-14-27(23)33(21-9-2-1-3-10-21)28-15-7-5-12-24(28)30/h1-7,9-12,14-17,19,32H,8,13,18H2
InChIKeyUZKZRWHRBDKGHZ-UHFFFAOYSA-N
MW491.43 g/mol
LogP7.67
Rot. Bonds1

About 7-bromo-10'-phenylspiro[1,2,3,4-tetrahydroindeno[1,2-b]pyridine-5,9'-acridine]

7-bromo-10'-phenylspiro[1,2,3,4-tetrahydroindeno[1,2-b]pyridine-5,9'-acridine] (PubChem CID 145412668) has the molecular formula C30H23BrN2 and a molecular weight of 491.43 g/mol. Its IUPAC name is 7-bromo-10'-phenylspiro[1,2,3,4-tetrahydroindeno[1,2-b]pyridine-5,9'-acridine].

Molecular Properties

Compound Name7-bromo-10'-phenylspiro[1,2,3,4-tetrahydroindeno[1,2-b]pyridine-5,9'-acridine]
PubChem CID145412668
Molecular FormulaC30H23BrN2
Molecular Weight491.43 g/mol
Exact Mass490.10
IUPAC Name7-bromo-10'-phenylspiro[1,2,3,4-tetrahydroindeno[1,2-b]pyridine-5,9'-acridine]
SMILESBrc1ccc2c(c1)C1(C3=C2NCCC3)c2ccccc2N(c2ccccc2)c2ccccc21
InChIInChI=1S/C30H23BrN2/c31-20-16-17-22-26(19-20)30(25-13-8-18-32-29(22)25)23-11-4-6-14-27(23)33(21-9-2-1-3-10-21)28-15-7-5-12-24(28)30/h1-7,9-12,14-17,19,32H,8,13,18H2
InChIKeyUZKZRWHRBDKGHZ-UHFFFAOYSA-N
XLogP7.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.43
LogP ≤ 57.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-bromo-10'-phenylspiro[1,2,3,4-tetrahydroindeno[1,2-b]pyridine-5,9'-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

9-bromo-10'-phenylspiro[5,6-dihydrobenzo[c]fluorene-7,9'-acridine]
CID 142293637
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
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
2'-bromo-2-tert-butyl-10-(4-tert-butylphenyl)-7'-iodospiro[acridine-9,9'-fluorene]
CID 143268544
10-phenyl-9,9-dipyridin-2-ylacridine
CID 58029185
3-(3-bromophenyl)-9,9,10-triphenylacridine
CID 121259219
2,7-dibromo-10'-(3,5-diphenylphenyl)-3-methylspiro[3,4-dihydrofluorene-9,9'-acridine]
CID 145096368
2',7'-dibromo-9,9'-spirobi[fluorene]
CID 15544767
2'-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]
CID 139521181
2'-(2,6-diphenylpyrimidin-4-yl)-10-phenylspiro[acridine-9,9'-fluorene]
CID 129263417
2-bromo-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethylacridine
CID 172991970

Frequently Asked Questions

What is the IUPAC name of 7-bromo-10'-phenylspiro[1,2,3,4-tetrahydroindeno[1,2-b]pyridine-5,9'-acridine]?
The IUPAC name of 7-bromo-10'-phenylspiro[1,2,3,4-tetrahydroindeno[1,2-b]pyridine-5,9'-acridine] (CID 145412668) is 7-bromo-10'-phenylspiro[1,2,3,4-tetrahydroindeno[1,2-b]pyridine-5,9'-acridine].
What is the SMILES notation for 7-bromo-10'-phenylspiro[1,2,3,4-tetrahydroindeno[1,2-b]pyridine-5,9'-acridine]?
The canonical SMILES for 7-bromo-10'-phenylspiro[1,2,3,4-tetrahydroindeno[1,2-b]pyridine-5,9'-acridine] is Brc1ccc2c(c1)C1(C3=C2NCCC3)c2ccccc2N(c2ccccc2)c2ccccc21.
What is the InChIKey of 7-bromo-10'-phenylspiro[1,2,3,4-tetrahydroindeno[1,2-b]pyridine-5,9'-acridine]?
The InChIKey is UZKZRWHRBDKGHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23BrN2/c31-20-16-17-22-26(19-20)30(25-13-8-18-32-29(22)25)23-11-4-6-14-27(23)33(21-9-2-1-3-10-21)28-15-7-5-12-24(28)30/h1-7,9-12,14-17,19,32H,8,13,18H2.
What are the key properties of 7-bromo-10'-phenylspiro[1,2,3,4-tetrahydroindeno[1,2-b]pyridine-5,9'-acridine]?
7-bromo-10'-phenylspiro[1,2,3,4-tetrahydroindeno[1,2-b]pyridine-5,9'-acridine] has a molecular weight of 491.43 g/mol, XLogP of 7.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-10'-phenylspiro[1,2,3,4-tetrahydroindeno[1,2-b]pyridine-5,9'-acridine] is sourced from PubChem (CID 145412668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).