7,24-dibromo-3,20-diazanonacyclo[17.15.1.12,10.04,9.011,16.021,26.027,35.028,33.018,36]hexatriaconta-1,4(9),5,7,10(36),11,13,15,18,21(26),22,24,27(35),28,30,32-hexadecaene-17,34-dione

C34H16Br2N2O2 — CID 89336176

IUPAC7,24-dibromo-3,20-diazanonacyclo[17.15.1.12,10.04,9.011,16.021,26.027,35.028,33.018,36]hexatriaconta-1,4(9),5,7,10(36),11,13,15,18,21(26),22,24,27(35),28,30,32-hexadecaene-17,34-dione
SMILESO=c1c2ccccc2c2c3cc(Br)ccc3[nH]c3c4c(=O)c5ccccc5c5c6cc(Br)ccc6[nH]c(c1c32)c45
InChIInChI=1S/C34H16Br2N2O2/c35-15-9-11-23-21(13-15)25-17-5-1-3-7-19(17)33(39)29-27(25)31(37-23)30-28-26(18-6-2-4-8-20(18)34(30)40)22-14-16(36)10-12-24(22)38-32(28)29/h1-14,37-38H
InChIKeyGTXKYIIMURKOJK-UHFFFAOYSA-N
MW644.32 g/mol
LogP9.25
Rot. Bonds

About 7,24-dibromo-3,20-diazanonacyclo[17.15.1.12,10.04,9.011,16.021,26.027,35.028,33.018,36]hexatriaconta-1,4(9),5,7,10(36),11,13,15,18,21(26),22,24,27(35),28,30,32-hexadecaene-17,34-dione

7,24-dibromo-3,20-diazanonacyclo[17.15.1.12,10.04,9.011,16.021,26.027,35.028,33.018,36]hexatriaconta-1,4(9),5,7,10(36),11,13,15,18,21(26),22,24,27(35),28,30,32-hexadecaene-17,34-dione (PubChem CID 89336176) has the molecular formula C34H16Br2N2O2 and a molecular weight of 644.32 g/mol. Its IUPAC name is 7,24-dibromo-3,20-diazanonacyclo[17.15.1.12,10.04,9.011,16.021,26.027,35.028,33.018,36]hexatriaconta-1,4(9),5,7,10(36),11,13,15,18,21(26),22,24,27(35),28,30,32-hexadecaene-17,34-dione.

Molecular Properties

Compound Name7,24-dibromo-3,20-diazanonacyclo[17.15.1.12,10.04,9.011,16.021,26.027,35.028,33.018,36]hexatriaconta-1,4(9),5,7,10(36),11,13,15,18,21(26),22,24,27(35),28,30,32-hexadecaene-17,34-dione
PubChem CID89336176
Molecular FormulaC34H16Br2N2O2
Molecular Weight644.32 g/mol
Exact Mass641.96
IUPAC Name7,24-dibromo-3,20-diazanonacyclo[17.15.1.12,10.04,9.011,16.021,26.027,35.028,33.018,36]hexatriaconta-1,4(9),5,7,10(36),11,13,15,18,21(26),22,24,27(35),28,30,32-hexadecaene-17,34-dione
SMILESO=c1c2ccccc2c2c3cc(Br)ccc3[nH]c3c4c(=O)c5ccccc5c5c6cc(Br)ccc6[nH]c(c1c32)c45
InChIInChI=1S/C34H16Br2N2O2/c35-15-9-11-23-21(13-15)25-17-5-1-3-7-19(17)33(39)29-27(25)31(37-23)30-28-26(18-6-2-4-8-20(18)34(30)40)22-14-16(36)10-12-24(22)38-32(28)29/h1-14,37-38H
InChIKeyGTXKYIIMURKOJK-UHFFFAOYSA-N
XLogP9.25
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500644.32
LogP ≤ 59.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 7,24-dibromo-3,20-diazanonacyclo[17.15.1.12,10.04,9.011,16.021,26.027,35.028,33.018,36]hexatriaconta-1,4(9),5,7,10(36),11,13,15,18,21(26),22,24,27(35),28,30,32-hexadecaene-17,34-dione with MolForge

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Related Compounds

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N-(4-bromo-2-methylphenyl)-2-biphenylcarboxamide
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CID 367791
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CID 13791644
2-bromo-9(10H)-acridone
CID 437005
8-bromo-1'-phenylspiro[5H-indeno[1,2-b]quinoline-10,3'-6,7-dihydro-5H-indole]-2',4',11-trione
CID 156012475
8-bromo-1'-(4-bromophenyl)spiro[5H-indeno[1,2-b]quinoline-10,3'-6,7-dihydro-5H-indole]-2',4',11-trione
CID 156012506
8'-bromo-6,6-dimethyl-1-phenylspiro[5,7-dihydroindole-3,10'-5H-indeno[1,2-b]quinoline]-2,4,11'-trione
CID 156016389
4-(4-Bromo-2-methylanilino)-1,2-naphthalenedione
CID 367788

Frequently Asked Questions

What is the IUPAC name of 7,24-dibromo-3,20-diazanonacyclo[17.15.1.12,10.04,9.011,16.021,26.027,35.028,33.018,36]hexatriaconta-1,4(9),5,7,10(36),11,13,15,18,21(26),22,24,27(35),28,30,32-hexadecaene-17,34-dione?
The IUPAC name of 7,24-dibromo-3,20-diazanonacyclo[17.15.1.12,10.04,9.011,16.021,26.027,35.028,33.018,36]hexatriaconta-1,4(9),5,7,10(36),11,13,15,18,21(26),22,24,27(35),28,30,32-hexadecaene-17,34-dione (CID 89336176) is 7,24-dibromo-3,20-diazanonacyclo[17.15.1.12,10.04,9.011,16.021,26.027,35.028,33.018,36]hexatriaconta-1,4(9),5,7,10(36),11,13,15,18,21(26),22,24,27(35),28,30,32-hexadecaene-17,34-dione.
What is the SMILES notation for 7,24-dibromo-3,20-diazanonacyclo[17.15.1.12,10.04,9.011,16.021,26.027,35.028,33.018,36]hexatriaconta-1,4(9),5,7,10(36),11,13,15,18,21(26),22,24,27(35),28,30,32-hexadecaene-17,34-dione?
The canonical SMILES for 7,24-dibromo-3,20-diazanonacyclo[17.15.1.12,10.04,9.011,16.021,26.027,35.028,33.018,36]hexatriaconta-1,4(9),5,7,10(36),11,13,15,18,21(26),22,24,27(35),28,30,32-hexadecaene-17,34-dione is O=c1c2ccccc2c2c3cc(Br)ccc3[nH]c3c4c(=O)c5ccccc5c5c6cc(Br)ccc6[nH]c(c1c32)c45.
What is the InChIKey of 7,24-dibromo-3,20-diazanonacyclo[17.15.1.12,10.04,9.011,16.021,26.027,35.028,33.018,36]hexatriaconta-1,4(9),5,7,10(36),11,13,15,18,21(26),22,24,27(35),28,30,32-hexadecaene-17,34-dione?
The InChIKey is GTXKYIIMURKOJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H16Br2N2O2/c35-15-9-11-23-21(13-15)25-17-5-1-3-7-19(17)33(39)29-27(25)31(37-23)30-28-26(18-6-2-4-8-20(18)34(30)40)22-14-16(36)10-12-24(22)38-32(28)29/h1-14,37-38H.
What are the key properties of 7,24-dibromo-3,20-diazanonacyclo[17.15.1.12,10.04,9.011,16.021,26.027,35.028,33.018,36]hexatriaconta-1,4(9),5,7,10(36),11,13,15,18,21(26),22,24,27(35),28,30,32-hexadecaene-17,34-dione?
7,24-dibromo-3,20-diazanonacyclo[17.15.1.12,10.04,9.011,16.021,26.027,35.028,33.018,36]hexatriaconta-1,4(9),5,7,10(36),11,13,15,18,21(26),22,24,27(35),28,30,32-hexadecaene-17,34-dione has a molecular weight of 644.32 g/mol, XLogP of 9.25, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,24-dibromo-3,20-diazanonacyclo[17.15.1.12,10.04,9.011,16.021,26.027,35.028,33.018,36]hexatriaconta-1,4(9),5,7,10(36),11,13,15,18,21(26),22,24,27(35),28,30,32-hexadecaene-17,34-dione is sourced from PubChem (CID 89336176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).