10,20-diphenyl-6,24-bis(5-quinolin-2-yl-2-pyridinyl)-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene

C64H38N6S — CID 88856260

IUPAC10,20-diphenyl-6,24-bis(5-quinolin-2-yl-2-pyridinyl)-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene
SMILESc1ccc(-c2ccc3c(c2)c2c4sc5c(ccc6c5c5cc(-c7ccccc7)ccc5n6-c5ccc(-c6ccc7ccccc7n6)cn5)c4ccc2n3-c2ccc(-c3ccc4ccccc4n3)cn2)cc1
InChIInChI=1S/C64H38N6S/c1-3-11-39(12-4-1)43-21-29-55-49(35-43)61-57(69(55)59-33-23-45(37-65-59)53-27-19-41-15-7-9-17-51(41)67-53)31-25-47-48-26-32-58-62(64(48)71-63(47)61)50-36-44(40-13-5-2-6-14-40)22-30-56(50)70(58)60-34-24-46(38-66-60)54-28-20-42-16-8-10-18-52(42)68-54/h1-38H
InChIKeyYPDDLCKQXIMJAN-UHFFFAOYSA-N
MW923.12 g/mol
LogP16.80
Rot. Bonds6

About 10,20-diphenyl-6,24-bis(5-quinolin-2-yl-2-pyridinyl)-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene

10,20-diphenyl-6,24-bis(5-quinolin-2-yl-2-pyridinyl)-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene (PubChem CID 88856260) has the molecular formula C64H38N6S and a molecular weight of 923.12 g/mol. Its IUPAC name is 10,20-diphenyl-6,24-bis(5-quinolin-2-yl-2-pyridinyl)-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene.

Molecular Properties

Compound Name10,20-diphenyl-6,24-bis(5-quinolin-2-yl-2-pyridinyl)-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene
PubChem CID88856260
Molecular FormulaC64H38N6S
Molecular Weight923.12 g/mol
Exact Mass922.29
IUPAC Name10,20-diphenyl-6,24-bis(5-quinolin-2-yl-2-pyridinyl)-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene
SMILESc1ccc(-c2ccc3c(c2)c2c4sc5c(ccc6c5c5cc(-c7ccccc7)ccc5n6-c5ccc(-c6ccc7ccccc7n6)cn5)c4ccc2n3-c2ccc(-c3ccc4ccccc4n3)cn2)cc1
InChIInChI=1S/C64H38N6S/c1-3-11-39(12-4-1)43-21-29-55-49(35-43)61-57(69(55)59-33-23-45(37-65-59)53-27-19-41-15-7-9-17-51(41)67-53)31-25-47-48-26-32-58-62(64(48)71-63(47)61)50-36-44(40-13-5-2-6-14-40)22-30-56(50)70(58)60-34-24-46(38-66-60)54-28-20-42-16-8-10-18-52(42)68-54/h1-38H
InChIKeyYPDDLCKQXIMJAN-UHFFFAOYSA-N
XLogP16.80
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500923.12
LogP ≤ 516.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 10,20-diphenyl-6,24-bis(5-quinolin-2-yl-2-pyridinyl)-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10,20-diphenyl-6,24-bis(5-quinolin-2-yl-2-pyridinyl)-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene?
The IUPAC name of 10,20-diphenyl-6,24-bis(5-quinolin-2-yl-2-pyridinyl)-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene (CID 88856260) is 10,20-diphenyl-6,24-bis(5-quinolin-2-yl-2-pyridinyl)-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene.
What is the SMILES notation for 10,20-diphenyl-6,24-bis(5-quinolin-2-yl-2-pyridinyl)-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene?
The canonical SMILES for 10,20-diphenyl-6,24-bis(5-quinolin-2-yl-2-pyridinyl)-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene is c1ccc(-c2ccc3c(c2)c2c4sc5c(ccc6c5c5cc(-c7ccccc7)ccc5n6-c5ccc(-c6ccc7ccccc7n6)cn5)c4ccc2n3-c2ccc(-c3ccc4ccccc4n3)cn2)cc1.
What is the InChIKey of 10,20-diphenyl-6,24-bis(5-quinolin-2-yl-2-pyridinyl)-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene?
The InChIKey is YPDDLCKQXIMJAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H38N6S/c1-3-11-39(12-4-1)43-21-29-55-49(35-43)61-57(69(55)59-33-23-45(37-65-59)53-27-19-41-15-7-9-17-51(41)67-53)31-25-47-48-26-32-58-62(64(48)71-63(47)61)50-36-44(40-13-5-2-6-14-40)22-30-56(50)70(58)60-34-24-46(38-66-60)54-28-20-42-16-8-10-18-52(42)68-54/h1-38H.
What are the key properties of 10,20-diphenyl-6,24-bis(5-quinolin-2-yl-2-pyridinyl)-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene?
10,20-diphenyl-6,24-bis(5-quinolin-2-yl-2-pyridinyl)-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene has a molecular weight of 923.12 g/mol, XLogP of 16.80, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10,20-diphenyl-6,24-bis(5-quinolin-2-yl-2-pyridinyl)-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene is sourced from PubChem (CID 88856260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).