24-phenyl-3-(6-phenylpyrimidin-4-yl)-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene

C36H22N6 — CID 122523876

IUPAC24-phenyl-3-(6-phenylpyrimidin-4-yl)-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
SMILESc1ccc(-c2cc(-n3c4ccccc4c4c5ncncc5c5c6ccccc6n(-c6ccccc6)c5c43)ncn2)cc1
InChIInChI=1S/C36H22N6/c1-3-11-23(12-4-1)28-19-31(39-22-38-28)42-30-18-10-8-16-26(30)33-34-27(20-37-21-40-34)32-25-15-7-9-17-29(25)41(35(32)36(33)42)24-13-5-2-6-14-24/h1-22H
InChIKeyTUOVCDQDQCEXIB-UHFFFAOYSA-N
MW538.61 g/mol
LogP8.28
Rot. Bonds3

About 24-phenyl-3-(6-phenylpyrimidin-4-yl)-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene

24-phenyl-3-(6-phenylpyrimidin-4-yl)-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene (PubChem CID 122523876) has the molecular formula C36H22N6 and a molecular weight of 538.61 g/mol. Its IUPAC name is 24-phenyl-3-(6-phenylpyrimidin-4-yl)-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene.

Molecular Properties

Compound Name24-phenyl-3-(6-phenylpyrimidin-4-yl)-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
PubChem CID122523876
Molecular FormulaC36H22N6
Molecular Weight538.61 g/mol
Exact Mass538.19
IUPAC Name24-phenyl-3-(6-phenylpyrimidin-4-yl)-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
SMILESc1ccc(-c2cc(-n3c4ccccc4c4c5ncncc5c5c6ccccc6n(-c6ccccc6)c5c43)ncn2)cc1
InChIInChI=1S/C36H22N6/c1-3-11-23(12-4-1)28-19-31(39-22-38-28)42-30-18-10-8-16-26(30)33-34-27(20-37-21-40-34)32-25-15-7-9-17-29(25)41(35(32)36(33)42)24-13-5-2-6-14-24/h1-22H
InChIKeyTUOVCDQDQCEXIB-UHFFFAOYSA-N
XLogP8.28
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.61
LogP ≤ 58.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 24-phenyl-3-(6-phenylpyrimidin-4-yl)-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene with MolForge

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Related Compounds

3-phenyl-24-(4-phenylquinazolin-2-yl)-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
CID 122523941
24-phenyl-3-quinoxalin-5-yl-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
CID 122523894
24-isoquinolin-8-yl-3-phenyl-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
CID 122523927
3,24-diphenyl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene
CID 122523763
8-(2,6-diphenyl-4-pyridinyl)-10-phenyl-3,5,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaene
CID 118104643
3-isoquinolin-5-yl-24-phenyl-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;3-isoquinolin-8-yl-24-phenyl-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;3-phenyl-24-pyridin-2-yl-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-phenyl-3-quinolin-5-yl-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
CID 161436165
9-phenyl-12-(9-phenyl-1,10-phenanthrolin-2-yl)-9,12-diazaoctacyclo[18.12.0.02,10.03,8.011,19.013,18.022,31.024,29]dotriaconta-1(20),2(10),3,5,7,11(19),13,15,17,21,24,26,28,31-tetradecaene
CID 137426268
9-phenyl-21-(4-phenylphenyl)-18-thia-9,13,15,21-tetrazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
CID 138640039
24-phenanthro[9,10-c]pyridin-3-yl-9-phenyl-9,13,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene
CID 164836837
19-(4,6-diphenyl-2-pyridinyl)-9-phenyl-9,19-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,18(26),20,22,24,27,29,31-pentadecaene
CID 140913938
24-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-9-phenyl-9,13,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene
CID 164836782
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-18-phenyl-21-thia-9,18,24,26-tetrazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
CID 138640746

Frequently Asked Questions

What is the IUPAC name of 24-phenyl-3-(6-phenylpyrimidin-4-yl)-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene?
The IUPAC name of 24-phenyl-3-(6-phenylpyrimidin-4-yl)-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene (CID 122523876) is 24-phenyl-3-(6-phenylpyrimidin-4-yl)-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene.
What is the SMILES notation for 24-phenyl-3-(6-phenylpyrimidin-4-yl)-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene?
The canonical SMILES for 24-phenyl-3-(6-phenylpyrimidin-4-yl)-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene is c1ccc(-c2cc(-n3c4ccccc4c4c5ncncc5c5c6ccccc6n(-c6ccccc6)c5c43)ncn2)cc1.
What is the InChIKey of 24-phenyl-3-(6-phenylpyrimidin-4-yl)-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene?
The InChIKey is TUOVCDQDQCEXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22N6/c1-3-11-23(12-4-1)28-19-31(39-22-38-28)42-30-18-10-8-16-26(30)33-34-27(20-37-21-40-34)32-25-15-7-9-17-29(25)41(35(32)36(33)42)24-13-5-2-6-14-24/h1-22H.
What are the key properties of 24-phenyl-3-(6-phenylpyrimidin-4-yl)-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene?
24-phenyl-3-(6-phenylpyrimidin-4-yl)-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene has a molecular weight of 538.61 g/mol, XLogP of 8.28, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 24-phenyl-3-(6-phenylpyrimidin-4-yl)-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene is sourced from PubChem (CID 122523876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).