10-(2-phenylquinolin-4-yl)-7-[6-(4-phenylquinolin-2-yl)-15-thia-6-azahexacyclo[14.7.1.02,14.05,13.07,12.020,24]tetracosa-1(23),2(14),3,5(13),7(12),8,10,16,18,20(24),21-undecaen-10-yl]-15-oxa-10-azahexacyclo[14.7.1.02,14.03,11.04,9.020,24]tetracosa-1(23),2(14),3(11),4(9),5,7,12,16,18,20(24),21-undecaene

C74H42N4OS — CID 135274218

IUPAC10-(2-phenylquinolin-4-yl)-7-[6-(4-phenylquinolin-2-yl)-15-thia-6-azahexacyclo[14.7.1.02,14.05,13.07,12.020,24]tetracosa-1(23),2(14),3,5(13),7(12),8,10,16,18,20(24),21-undecaen-10-yl]-15-oxa-10-azahexacyclo[14.7.1.02,14.03,11.04,9.020,24]tetracosa-1(23),2(14),3(11),4(9),5,7,12,16,18,20(24),21-undecaene
SMILESc1ccc(-c2cc(-n3c4cc(-c5ccc6c(c5)c5c7c(ccc5n6-c5cc(-c6ccccc6)c6ccccc6n5)-c5cccc6cccc(c56)S7)ccc4c4c5c(ccc43)Oc3cccc4cccc-5c34)c3ccccc3n2)cc1
InChIInChI=1S/C74H42N4OS/c1-3-15-43(16-4-1)55-41-68(76-57-27-9-7-23-49(55)57)78-60-35-32-47(39-56(60)72-62(78)36-34-51-50-25-11-20-46-22-14-30-67(70(46)50)80-74(51)72)48-31-33-53-63(40-48)77(64-42-59(44-17-5-2-6-18-44)75-58-28-10-8-24-52(58)64)61-37-38-66-73(71(53)61)54-26-12-19-45-21-13-29-65(79-66)69(45)54/h1-42H
InChIKeyOZUBSVLSLHWNFO-UHFFFAOYSA-N
MW1035.24 g/mol
LogP20.19
Rot. Bonds5

About 10-(2-phenylquinolin-4-yl)-7-[6-(4-phenylquinolin-2-yl)-15-thia-6-azahexacyclo[14.7.1.02,14.05,13.07,12.020,24]tetracosa-1(23),2(14),3,5(13),7(12),8,10,16,18,20(24),21-undecaen-10-yl]-15-oxa-10-azahexacyclo[14.7.1.02,14.03,11.04,9.020,24]tetracosa-1(23),2(14),3(11),4(9),5,7,12,16,18,20(24),21-undecaene

10-(2-phenylquinolin-4-yl)-7-[6-(4-phenylquinolin-2-yl)-15-thia-6-azahexacyclo[14.7.1.02,14.05,13.07,12.020,24]tetracosa-1(23),2(14),3,5(13),7(12),8,10,16,18,20(24),21-undecaen-10-yl]-15-oxa-10-azahexacyclo[14.7.1.02,14.03,11.04,9.020,24]tetracosa-1(23),2(14),3(11),4(9),5,7,12,16,18,20(24),21-undecaene (PubChem CID 135274218) has the molecular formula C74H42N4OS and a molecular weight of 1035.24 g/mol. Its IUPAC name is 10-(2-phenylquinolin-4-yl)-7-[6-(4-phenylquinolin-2-yl)-15-thia-6-azahexacyclo[14.7.1.02,14.05,13.07,12.020,24]tetracosa-1(23),2(14),3,5(13),7(12),8,10,16,18,20(24),21-undecaen-10-yl]-15-oxa-10-azahexacyclo[14.7.1.02,14.03,11.04,9.020,24]tetracosa-1(23),2(14),3(11),4(9),5,7,12,16,18,20(24),21-undecaene.

Molecular Properties

Compound Name10-(2-phenylquinolin-4-yl)-7-[6-(4-phenylquinolin-2-yl)-15-thia-6-azahexacyclo[14.7.1.02,14.05,13.07,12.020,24]tetracosa-1(23),2(14),3,5(13),7(12),8,10,16,18,20(24),21-undecaen-10-yl]-15-oxa-10-azahexacyclo[14.7.1.02,14.03,11.04,9.020,24]tetracosa-1(23),2(14),3(11),4(9),5,7,12,16,18,20(24),21-undecaene
PubChem CID135274218
Molecular FormulaC74H42N4OS
Molecular Weight1035.24 g/mol
Exact Mass1034.31
IUPAC Name10-(2-phenylquinolin-4-yl)-7-[6-(4-phenylquinolin-2-yl)-15-thia-6-azahexacyclo[14.7.1.02,14.05,13.07,12.020,24]tetracosa-1(23),2(14),3,5(13),7(12),8,10,16,18,20(24),21-undecaen-10-yl]-15-oxa-10-azahexacyclo[14.7.1.02,14.03,11.04,9.020,24]tetracosa-1(23),2(14),3(11),4(9),5,7,12,16,18,20(24),21-undecaene
SMILESc1ccc(-c2cc(-n3c4cc(-c5ccc6c(c5)c5c7c(ccc5n6-c5cc(-c6ccccc6)c6ccccc6n5)-c5cccc6cccc(c56)S7)ccc4c4c5c(ccc43)Oc3cccc4cccc-5c34)c3ccccc3n2)cc1
InChIInChI=1S/C74H42N4OS/c1-3-15-43(16-4-1)55-41-68(76-57-27-9-7-23-49(55)57)78-60-35-32-47(39-56(60)72-62(78)36-34-51-50-25-11-20-46-22-14-30-67(70(46)50)80-74(51)72)48-31-33-53-63(40-48)77(64-42-59(44-17-5-2-6-18-44)75-58-28-10-8-24-52(58)64)61-37-38-66-73(71(53)61)54-26-12-19-45-21-13-29-65(79-66)69(45)54/h1-42H
InChIKeyOZUBSVLSLHWNFO-UHFFFAOYSA-N
XLogP20.19
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001035.24
LogP ≤ 520.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 10-(2-phenylquinolin-4-yl)-7-[6-(4-phenylquinolin-2-yl)-15-thia-6-azahexacyclo[14.7.1.02,14.05,13.07,12.020,24]tetracosa-1(23),2(14),3,5(13),7(12),8,10,16,18,20(24),21-undecaen-10-yl]-15-oxa-10-azahexacyclo[14.7.1.02,14.03,11.04,9.020,24]tetracosa-1(23),2(14),3(11),4(9),5,7,12,16,18,20(24),21-undecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-(2-phenylquinolin-4-yl)-7-[6-(4-phenylquinolin-2-yl)-15-thia-6-azahexacyclo[14.7.1.02,14.05,13.07,12.020,24]tetracosa-1(23),2(14),3,5(13),7(12),8,10,16,18,20(24),21-undecaen-10-yl]-15-oxa-10-azahexacyclo[14.7.1.02,14.03,11.04,9.020,24]tetracosa-1(23),2(14),3(11),4(9),5,7,12,16,18,20(24),21-undecaene?
The IUPAC name of 10-(2-phenylquinolin-4-yl)-7-[6-(4-phenylquinolin-2-yl)-15-thia-6-azahexacyclo[14.7.1.02,14.05,13.07,12.020,24]tetracosa-1(23),2(14),3,5(13),7(12),8,10,16,18,20(24),21-undecaen-10-yl]-15-oxa-10-azahexacyclo[14.7.1.02,14.03,11.04,9.020,24]tetracosa-1(23),2(14),3(11),4(9),5,7,12,16,18,20(24),21-undecaene (CID 135274218) is 10-(2-phenylquinolin-4-yl)-7-[6-(4-phenylquinolin-2-yl)-15-thia-6-azahexacyclo[14.7.1.02,14.05,13.07,12.020,24]tetracosa-1(23),2(14),3,5(13),7(12),8,10,16,18,20(24),21-undecaen-10-yl]-15-oxa-10-azahexacyclo[14.7.1.02,14.03,11.04,9.020,24]tetracosa-1(23),2(14),3(11),4(9),5,7,12,16,18,20(24),21-undecaene.
What is the SMILES notation for 10-(2-phenylquinolin-4-yl)-7-[6-(4-phenylquinolin-2-yl)-15-thia-6-azahexacyclo[14.7.1.02,14.05,13.07,12.020,24]tetracosa-1(23),2(14),3,5(13),7(12),8,10,16,18,20(24),21-undecaen-10-yl]-15-oxa-10-azahexacyclo[14.7.1.02,14.03,11.04,9.020,24]tetracosa-1(23),2(14),3(11),4(9),5,7,12,16,18,20(24),21-undecaene?
The canonical SMILES for 10-(2-phenylquinolin-4-yl)-7-[6-(4-phenylquinolin-2-yl)-15-thia-6-azahexacyclo[14.7.1.02,14.05,13.07,12.020,24]tetracosa-1(23),2(14),3,5(13),7(12),8,10,16,18,20(24),21-undecaen-10-yl]-15-oxa-10-azahexacyclo[14.7.1.02,14.03,11.04,9.020,24]tetracosa-1(23),2(14),3(11),4(9),5,7,12,16,18,20(24),21-undecaene is c1ccc(-c2cc(-n3c4cc(-c5ccc6c(c5)c5c7c(ccc5n6-c5cc(-c6ccccc6)c6ccccc6n5)-c5cccc6cccc(c56)S7)ccc4c4c5c(ccc43)Oc3cccc4cccc-5c34)c3ccccc3n2)cc1.
What is the InChIKey of 10-(2-phenylquinolin-4-yl)-7-[6-(4-phenylquinolin-2-yl)-15-thia-6-azahexacyclo[14.7.1.02,14.05,13.07,12.020,24]tetracosa-1(23),2(14),3,5(13),7(12),8,10,16,18,20(24),21-undecaen-10-yl]-15-oxa-10-azahexacyclo[14.7.1.02,14.03,11.04,9.020,24]tetracosa-1(23),2(14),3(11),4(9),5,7,12,16,18,20(24),21-undecaene?
The InChIKey is OZUBSVLSLHWNFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H42N4OS/c1-3-15-43(16-4-1)55-41-68(76-57-27-9-7-23-49(55)57)78-60-35-32-47(39-56(60)72-62(78)36-34-51-50-25-11-20-46-22-14-30-67(70(46)50)80-74(51)72)48-31-33-53-63(40-48)77(64-42-59(44-17-5-2-6-18-44)75-58-28-10-8-24-52(58)64)61-37-38-66-73(71(53)61)54-26-12-19-45-21-13-29-65(79-66)69(45)54/h1-42H.
What are the key properties of 10-(2-phenylquinolin-4-yl)-7-[6-(4-phenylquinolin-2-yl)-15-thia-6-azahexacyclo[14.7.1.02,14.05,13.07,12.020,24]tetracosa-1(23),2(14),3,5(13),7(12),8,10,16,18,20(24),21-undecaen-10-yl]-15-oxa-10-azahexacyclo[14.7.1.02,14.03,11.04,9.020,24]tetracosa-1(23),2(14),3(11),4(9),5,7,12,16,18,20(24),21-undecaene?
10-(2-phenylquinolin-4-yl)-7-[6-(4-phenylquinolin-2-yl)-15-thia-6-azahexacyclo[14.7.1.02,14.05,13.07,12.020,24]tetracosa-1(23),2(14),3,5(13),7(12),8,10,16,18,20(24),21-undecaen-10-yl]-15-oxa-10-azahexacyclo[14.7.1.02,14.03,11.04,9.020,24]tetracosa-1(23),2(14),3(11),4(9),5,7,12,16,18,20(24),21-undecaene has a molecular weight of 1035.24 g/mol, XLogP of 20.19, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2-phenylquinolin-4-yl)-7-[6-(4-phenylquinolin-2-yl)-15-thia-6-azahexacyclo[14.7.1.02,14.05,13.07,12.020,24]tetracosa-1(23),2(14),3,5(13),7(12),8,10,16,18,20(24),21-undecaen-10-yl]-15-oxa-10-azahexacyclo[14.7.1.02,14.03,11.04,9.020,24]tetracosa-1(23),2(14),3(11),4(9),5,7,12,16,18,20(24),21-undecaene is sourced from PubChem (CID 135274218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).