5,11-dibromospiro[16,23-diazapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2(7),3,5,9(14),10,12,15,17,19,21-undecaene-8,9'-fluorene]

C33H18Br2N2 — CID 134238107

IUPAC5,11-dibromospiro[16,23-diazapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2(7),3,5,9(14),10,12,15,17,19,21-undecaene-8,9'-fluorene]
SMILESBrc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(Br)ccc1-c1nc3ccccc3nc1-2
InChIInChI=1S/C33H18Br2N2/c34-19-13-15-23-27(17-19)33(25-9-3-1-7-21(25)22-8-2-4-10-26(22)33)28-18-20(35)14-16-24(28)32-31(23)36-29-11-5-6-12-30(29)37-32/h1-18H
InChIKeyJUOPYGKBGAIELU-UHFFFAOYSA-N
MW602.33 g/mol
LogP9.17
Rot. Bonds

About 5,11-dibromospiro[16,23-diazapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2(7),3,5,9(14),10,12,15,17,19,21-undecaene-8,9'-fluorene]

5,11-dibromospiro[16,23-diazapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2(7),3,5,9(14),10,12,15,17,19,21-undecaene-8,9'-fluorene] (PubChem CID 134238107) has the molecular formula C33H18Br2N2 and a molecular weight of 602.33 g/mol. Its IUPAC name is 5,11-dibromospiro[16,23-diazapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2(7),3,5,9(14),10,12,15,17,19,21-undecaene-8,9'-fluorene].

Molecular Properties

Compound Name5,11-dibromospiro[16,23-diazapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2(7),3,5,9(14),10,12,15,17,19,21-undecaene-8,9'-fluorene]
PubChem CID134238107
Molecular FormulaC33H18Br2N2
Molecular Weight602.33 g/mol
Exact Mass599.98
IUPAC Name5,11-dibromospiro[16,23-diazapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2(7),3,5,9(14),10,12,15,17,19,21-undecaene-8,9'-fluorene]
SMILESBrc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(Br)ccc1-c1nc3ccccc3nc1-2
InChIInChI=1S/C33H18Br2N2/c34-19-13-15-23-27(17-19)33(25-9-3-1-7-21(25)22-8-2-4-10-26(22)33)28-18-20(35)14-16-24(28)32-31(23)36-29-11-5-6-12-30(29)37-32/h1-18H
InChIKeyJUOPYGKBGAIELU-UHFFFAOYSA-N
XLogP9.17
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.33
LogP ≤ 59.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5,11-dibromospiro[16,23-diazapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2(7),3,5,9(14),10,12,15,17,19,21-undecaene-8,9'-fluorene] 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

2',7'-dibromo-9,9'-spirobi[fluorene]
CID 15544767
10',11',17'-tribromospiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8,10,12,16,18-nonaene]
CID 130268416
2'-bromo-7'-naphthalen-1-yl-9,9'-spirobi[fluorene]
CID 130452820
2'-bromo-9,9'-spirobi[fluorene]-2-carbonitrile
CID 118260232
4-(2-bromo-9-phenylfluoren-9-yl)phenol
CID 146438862
2,2'-dibromo-3'-phenyl-9,9'-spirobi[fluorene]
CID 168791383
2-[4-(2'-bromo-9,9'-spirobi[fluorene]-2-yl)phenyl]-1-phenylbenzimidazole
CID 130287427
CID 163822943
CID 163822943
2-bromo-10,10-diphenylspiro[anthracene-9,9'-fluorene]
CID 142567718
2'-(4-bromophenyl)-7'-phenyl-9,9'-spirobi[fluorene]
CID 142716244
11'-bromospiro[benzo[b]thioxanthene-12,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]
CID 134571729
2-bromo-9,9-bis(2,3,4,5,6-pentadeuteriophenyl)fluorene
CID 177098978

Frequently Asked Questions

What is the IUPAC name of 5,11-dibromospiro[16,23-diazapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2(7),3,5,9(14),10,12,15,17,19,21-undecaene-8,9'-fluorene]?
The IUPAC name of 5,11-dibromospiro[16,23-diazapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2(7),3,5,9(14),10,12,15,17,19,21-undecaene-8,9'-fluorene] (CID 134238107) is 5,11-dibromospiro[16,23-diazapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2(7),3,5,9(14),10,12,15,17,19,21-undecaene-8,9'-fluorene].
What is the SMILES notation for 5,11-dibromospiro[16,23-diazapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2(7),3,5,9(14),10,12,15,17,19,21-undecaene-8,9'-fluorene]?
The canonical SMILES for 5,11-dibromospiro[16,23-diazapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2(7),3,5,9(14),10,12,15,17,19,21-undecaene-8,9'-fluorene] is Brc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(Br)ccc1-c1nc3ccccc3nc1-2.
What is the InChIKey of 5,11-dibromospiro[16,23-diazapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2(7),3,5,9(14),10,12,15,17,19,21-undecaene-8,9'-fluorene]?
The InChIKey is JUOPYGKBGAIELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H18Br2N2/c34-19-13-15-23-27(17-19)33(25-9-3-1-7-21(25)22-8-2-4-10-26(22)33)28-18-20(35)14-16-24(28)32-31(23)36-29-11-5-6-12-30(29)37-32/h1-18H.
What are the key properties of 5,11-dibromospiro[16,23-diazapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2(7),3,5,9(14),10,12,15,17,19,21-undecaene-8,9'-fluorene]?
5,11-dibromospiro[16,23-diazapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2(7),3,5,9(14),10,12,15,17,19,21-undecaene-8,9'-fluorene] has a molecular weight of 602.33 g/mol, XLogP of 9.17, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,11-dibromospiro[16,23-diazapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2(7),3,5,9(14),10,12,15,17,19,21-undecaene-8,9'-fluorene] is sourced from PubChem (CID 134238107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).