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]

C29H18BrN3 — CID 147334151

IUPAC5-bromo-10'-phenylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-acridine]
SMILESBrc1cnc2c(c1)C1(c3ccccc3N(c3ccccc3)c3ccccc31)c1cccnc1-2
InChIInChI=1S/C29H18BrN3/c30-19-17-24-28(32-18-19)27-23(13-8-16-31-27)29(24)21-11-4-6-14-25(21)33(20-9-2-1-3-10-20)26-15-7-5-12-22(26)29/h1-18H
InChIKeyDCFMROJJNAAHEE-UHFFFAOYSA-N
MW488.39 g/mol
LogP7.39
Rot. Bonds1

About 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]

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] (PubChem CID 147334151) has the molecular formula C29H18BrN3 and a molecular weight of 488.39 g/mol. Its IUPAC name is 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].

Molecular Properties

Compound Name5-bromo-10'-phenylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-acridine]
PubChem CID147334151
Molecular FormulaC29H18BrN3
Molecular Weight488.39 g/mol
Exact Mass487.07
IUPAC Name5-bromo-10'-phenylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-acridine]
SMILESBrc1cnc2c(c1)C1(c3ccccc3N(c3ccccc3)c3ccccc31)c1cccnc1-2
InChIInChI=1S/C29H18BrN3/c30-19-17-24-28(32-18-19)27-23(13-8-16-31-27)29(24)21-11-4-6-14-25(21)33(20-9-2-1-3-10-20)26-15-7-5-12-22(26)29/h1-18H
InChIKeyDCFMROJJNAAHEE-UHFFFAOYSA-N
XLogP7.39
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.39
LogP ≤ 57.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 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] with MolForge

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Related Compounds

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-9,9-dipyridin-2-ylacridine
CID 58029185
10-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]-5-ylphenoxazine
CID 146654617
5-chloro-5'-phenylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-indeno[2,1-c]phenothiazine]
CID 165162448
5-phenothiazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]
CID 146655611
10-phenyl-10'-[3-(trifluoromethyl)-2-pyridinyl]-9,9'-spirobi[acridine]
CID 139575024
CID 137451109
CID 137451109
CID 145412704
CID 145412704
10'-phenylspiro[anthracene-10,5'-benzo[b][1,8]naphthyridine]-9-one
CID 161296094
9,9-bis(2-methylphenyl)-10-phenylacridine
CID 59470095
5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5'-phenylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-thiochromeno[3,2-c]phenothiazine]
CID 165162626
30,30-dimethyl-23-phenyl-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14,16,18,20,22(31),24,26,28-pentadecaene
CID 134428452

Frequently Asked Questions

What is the IUPAC name of 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]?
The IUPAC name of 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) is 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].
What is the SMILES notation for 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]?
The canonical SMILES for 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] is Brc1cnc2c(c1)C1(c3ccccc3N(c3ccccc3)c3ccccc31)c1cccnc1-2.
What is the InChIKey of 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]?
The InChIKey is DCFMROJJNAAHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H18BrN3/c30-19-17-24-28(32-18-19)27-23(13-8-16-31-27)29(24)21-11-4-6-14-25(21)33(20-9-2-1-3-10-20)26-15-7-5-12-22(26)29/h1-18H.
What are the key properties of 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]?
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] has a molecular weight of 488.39 g/mol, XLogP of 7.39, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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] is sourced from PubChem (CID 147334151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).