5,14,23,32-tetrabromo-9,18,27,36-tetrazanonacyclo[27.7.0.02,10.03,8.011,19.012,17.020,28.021,26.030,35]hexatriaconta-1(29),2(10),3(8),4,6,11(19),12(17),13,15,20(28),21(26),22,24,30(35),31,33-hexadecaene

C32H16Br4N4 — CID 101356306

IUPAC5,14,23,32-tetrabromo-9,18,27,36-tetrazanonacyclo[27.7.0.02,10.03,8.011,19.012,17.020,28.021,26.030,35]hexatriaconta-1(29),2(10),3(8),4,6,11(19),12(17),13,15,20(28),21(26),22,24,30(35),31,33-hexadecaene
SMILESBrc1ccc2[nH]c3c(c2c1)-c1[nH]c2ccc(Br)cc2c1-c1[nH]c2ccc(Br)cc2c1-c1[nH]c2ccc(Br)cc2c1-3
InChIInChI=1S/C32H16Br4N4/c33-13-1-5-21-17(9-13)25-29(37-21)26-18-10-14(34)2-6-22(18)39-31(26)28-20-12-16(36)4-8-24(20)40-32(28)27-19-11-15(35)3-7-23(19)38-30(25)27/h1-12,37-40H/b29-26+,30-25+,31-28+,32-27+
InChIKeyRUQRVSOJHVASQO-HEAOOCDTSA-N
MW776.12 g/mol
LogP11.64
Rot. Bonds

About 5,14,23,32-tetrabromo-9,18,27,36-tetrazanonacyclo[27.7.0.02,10.03,8.011,19.012,17.020,28.021,26.030,35]hexatriaconta-1(29),2(10),3(8),4,6,11(19),12(17),13,15,20(28),21(26),22,24,30(35),31,33-hexadecaene

5,14,23,32-tetrabromo-9,18,27,36-tetrazanonacyclo[27.7.0.02,10.03,8.011,19.012,17.020,28.021,26.030,35]hexatriaconta-1(29),2(10),3(8),4,6,11(19),12(17),13,15,20(28),21(26),22,24,30(35),31,33-hexadecaene (PubChem CID 101356306) has the molecular formula C32H16Br4N4 and a molecular weight of 776.12 g/mol. Its IUPAC name is 5,14,23,32-tetrabromo-9,18,27,36-tetrazanonacyclo[27.7.0.02,10.03,8.011,19.012,17.020,28.021,26.030,35]hexatriaconta-1(29),2(10),3(8),4,6,11(19),12(17),13,15,20(28),21(26),22,24,30(35),31,33-hexadecaene.

Molecular Properties

Compound Name5,14,23,32-tetrabromo-9,18,27,36-tetrazanonacyclo[27.7.0.02,10.03,8.011,19.012,17.020,28.021,26.030,35]hexatriaconta-1(29),2(10),3(8),4,6,11(19),12(17),13,15,20(28),21(26),22,24,30(35),31,33-hexadecaene
PubChem CID101356306
Molecular FormulaC32H16Br4N4
Molecular Weight776.12 g/mol
Exact Mass771.81
IUPAC Name5,14,23,32-tetrabromo-9,18,27,36-tetrazanonacyclo[27.7.0.02,10.03,8.011,19.012,17.020,28.021,26.030,35]hexatriaconta-1(29),2(10),3(8),4,6,11(19),12(17),13,15,20(28),21(26),22,24,30(35),31,33-hexadecaene
SMILESBrc1ccc2[nH]c3c(c2c1)-c1[nH]c2ccc(Br)cc2c1-c1[nH]c2ccc(Br)cc2c1-c1[nH]c2ccc(Br)cc2c1-3
InChIInChI=1S/C32H16Br4N4/c33-13-1-5-21-17(9-13)25-29(37-21)26-18-10-14(34)2-6-22(18)39-31(26)28-20-12-16(36)4-8-24(20)40-32(28)27-19-11-15(35)3-7-23(19)38-30(25)27/h1-12,37-40H/b29-26+,30-25+,31-28+,32-27+
InChIKeyRUQRVSOJHVASQO-HEAOOCDTSA-N
XLogP11.64
TPSA63.16 Ų
H-Bond Donors4
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500776.12
LogP ≤ 511.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 100

Analyze 5,14,23,32-tetrabromo-9,18,27,36-tetrazanonacyclo[27.7.0.02,10.03,8.011,19.012,17.020,28.021,26.030,35]hexatriaconta-1(29),2(10),3(8),4,6,11(19),12(17),13,15,20(28),21(26),22,24,30(35),31,33-hexadecaene with MolForge

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Related Compounds

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5-bromo-2-(5-bromo-1H-indol-2-yl)-1H-indole
CID 76328570
5-bromo-2-[(E)-2-(6-bromo-1H-indol-2-yl)ethenyl]-1H-indole
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CID 76332251
10,20,30,34-Tetrazanonacyclo[31.7.0.03,11.04,9.013,21.014,19.023,31.024,29.035,40]tetraconta-1(33),3(11),4,6,8,13(21),14,16,18,23(31),24,26,28,35,37,39-hexadecaene
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CID 127036138
5-bromo-2-(1H-indol-2-yl)-1H-indole
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Frequently Asked Questions

What is the IUPAC name of 5,14,23,32-tetrabromo-9,18,27,36-tetrazanonacyclo[27.7.0.02,10.03,8.011,19.012,17.020,28.021,26.030,35]hexatriaconta-1(29),2(10),3(8),4,6,11(19),12(17),13,15,20(28),21(26),22,24,30(35),31,33-hexadecaene?
The IUPAC name of 5,14,23,32-tetrabromo-9,18,27,36-tetrazanonacyclo[27.7.0.02,10.03,8.011,19.012,17.020,28.021,26.030,35]hexatriaconta-1(29),2(10),3(8),4,6,11(19),12(17),13,15,20(28),21(26),22,24,30(35),31,33-hexadecaene (CID 101356306) is 5,14,23,32-tetrabromo-9,18,27,36-tetrazanonacyclo[27.7.0.02,10.03,8.011,19.012,17.020,28.021,26.030,35]hexatriaconta-1(29),2(10),3(8),4,6,11(19),12(17),13,15,20(28),21(26),22,24,30(35),31,33-hexadecaene.
What is the SMILES notation for 5,14,23,32-tetrabromo-9,18,27,36-tetrazanonacyclo[27.7.0.02,10.03,8.011,19.012,17.020,28.021,26.030,35]hexatriaconta-1(29),2(10),3(8),4,6,11(19),12(17),13,15,20(28),21(26),22,24,30(35),31,33-hexadecaene?
The canonical SMILES for 5,14,23,32-tetrabromo-9,18,27,36-tetrazanonacyclo[27.7.0.02,10.03,8.011,19.012,17.020,28.021,26.030,35]hexatriaconta-1(29),2(10),3(8),4,6,11(19),12(17),13,15,20(28),21(26),22,24,30(35),31,33-hexadecaene is Brc1ccc2[nH]c3c(c2c1)-c1[nH]c2ccc(Br)cc2c1-c1[nH]c2ccc(Br)cc2c1-c1[nH]c2ccc(Br)cc2c1-3.
What is the InChIKey of 5,14,23,32-tetrabromo-9,18,27,36-tetrazanonacyclo[27.7.0.02,10.03,8.011,19.012,17.020,28.021,26.030,35]hexatriaconta-1(29),2(10),3(8),4,6,11(19),12(17),13,15,20(28),21(26),22,24,30(35),31,33-hexadecaene?
The InChIKey is RUQRVSOJHVASQO-HEAOOCDTSA-N. The full InChI is InChI=1S/C32H16Br4N4/c33-13-1-5-21-17(9-13)25-29(37-21)26-18-10-14(34)2-6-22(18)39-31(26)28-20-12-16(36)4-8-24(20)40-32(28)27-19-11-15(35)3-7-23(19)38-30(25)27/h1-12,37-40H/b29-26+,30-25+,31-28+,32-27+.
What are the key properties of 5,14,23,32-tetrabromo-9,18,27,36-tetrazanonacyclo[27.7.0.02,10.03,8.011,19.012,17.020,28.021,26.030,35]hexatriaconta-1(29),2(10),3(8),4,6,11(19),12(17),13,15,20(28),21(26),22,24,30(35),31,33-hexadecaene?
5,14,23,32-tetrabromo-9,18,27,36-tetrazanonacyclo[27.7.0.02,10.03,8.011,19.012,17.020,28.021,26.030,35]hexatriaconta-1(29),2(10),3(8),4,6,11(19),12(17),13,15,20(28),21(26),22,24,30(35),31,33-hexadecaene has a molecular weight of 776.12 g/mol, XLogP of 11.64, 0 rotatable bonds, 4 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,14,23,32-tetrabromo-9,18,27,36-tetrazanonacyclo[27.7.0.02,10.03,8.011,19.012,17.020,28.021,26.030,35]hexatriaconta-1(29),2(10),3(8),4,6,11(19),12(17),13,15,20(28),21(26),22,24,30(35),31,33-hexadecaene is sourced from PubChem (CID 101356306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).