24-[4-(4-phenylquinazolin-2-yl)phenyl]-14-[4-[2-[3-(2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18,20,22-undecaen-24-yl)phenyl]quinazolin-4-yl]phenyl]-2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11(16),12,14,18,20,22-undecaene

C82H48N10 — CID 129127898

IUPAC24-[4-(4-phenylquinazolin-2-yl)phenyl]-14-[4-[2-[3-(2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18,20,22-undecaen-24-yl)phenyl]quinazolin-4-yl]phenyl]-2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11(16),12,14,18,20,22-undecaene
SMILESc1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5c6cc(-c7ccc(-c8nc(-c9cccc(-n%10c%11ccccc%11c%11c%12ccccc%12c%12nc%13ccccc%13n%12c%11%10)c9)nc9ccccc89)cc7)ccc6c6nc7ccccc7n6c54)cc3)nc3ccccc23)cc1
InChIInChI=1S/C82H48N10/c1-2-19-50(20-3-1)75-60-25-6-10-29-65(60)83-77(87-75)52-41-44-55(45-42-52)89-69-33-14-9-28-63(69)74-64-48-53(43-46-59(64)80-86-68-32-13-17-36-72(68)92(80)82(74)89)49-37-39-51(40-38-49)76-61-26-7-11-30-66(61)84-78(88-76)54-21-18-22-56(47-54)90-70-34-15-8-27-62(70)73-57-23-4-5-24-58(57)79-85-67-31-12-16-35-71(67)91(79)81(73)90/h1-48H
InChIKeyLUSBMXJVAFAXEH-UHFFFAOYSA-N
MW1173.36 g/mol
LogP20.01
Rot. Bonds7

About 24-[4-(4-phenylquinazolin-2-yl)phenyl]-14-[4-[2-[3-(2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18,20,22-undecaen-24-yl)phenyl]quinazolin-4-yl]phenyl]-2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11(16),12,14,18,20,22-undecaene

24-[4-(4-phenylquinazolin-2-yl)phenyl]-14-[4-[2-[3-(2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18,20,22-undecaen-24-yl)phenyl]quinazolin-4-yl]phenyl]-2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11(16),12,14,18,20,22-undecaene (PubChem CID 129127898) has the molecular formula C82H48N10 and a molecular weight of 1173.36 g/mol. Its IUPAC name is 24-[4-(4-phenylquinazolin-2-yl)phenyl]-14-[4-[2-[3-(2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18,20,22-undecaen-24-yl)phenyl]quinazolin-4-yl]phenyl]-2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11(16),12,14,18,20,22-undecaene.

Molecular Properties

Compound Name24-[4-(4-phenylquinazolin-2-yl)phenyl]-14-[4-[2-[3-(2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18,20,22-undecaen-24-yl)phenyl]quinazolin-4-yl]phenyl]-2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11(16),12,14,18,20,22-undecaene
PubChem CID129127898
Molecular FormulaC82H48N10
Molecular Weight1173.36 g/mol
Exact Mass1172.41
IUPAC Name24-[4-(4-phenylquinazolin-2-yl)phenyl]-14-[4-[2-[3-(2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18,20,22-undecaen-24-yl)phenyl]quinazolin-4-yl]phenyl]-2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11(16),12,14,18,20,22-undecaene
SMILESc1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5c6cc(-c7ccc(-c8nc(-c9cccc(-n%10c%11ccccc%11c%11c%12ccccc%12c%12nc%13ccccc%13n%12c%11%10)c9)nc9ccccc89)cc7)ccc6c6nc7ccccc7n6c54)cc3)nc3ccccc23)cc1
InChIInChI=1S/C82H48N10/c1-2-19-50(20-3-1)75-60-25-6-10-29-65(60)83-77(87-75)52-41-44-55(45-42-52)89-69-33-14-9-28-63(69)74-64-48-53(43-46-59(64)80-86-68-32-13-17-36-72(68)92(80)82(74)89)49-37-39-51(40-38-49)76-61-26-7-11-30-66(61)84-78(88-76)54-21-18-22-56(47-54)90-70-34-15-8-27-62(70)73-57-23-4-5-24-58(57)79-85-67-31-12-16-35-71(67)91(79)81(73)90/h1-48H
InChIKeyLUSBMXJVAFAXEH-UHFFFAOYSA-N
XLogP20.01
TPSA96.02 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms92
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001173.36
LogP ≤ 520.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 24-[4-(4-phenylquinazolin-2-yl)phenyl]-14-[4-[2-[3-(2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18,20,22-undecaen-24-yl)phenyl]quinazolin-4-yl]phenyl]-2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11(16),12,14,18,20,22-undecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 24-[4-(4-phenylquinazolin-2-yl)phenyl]-14-[4-[2-[3-(2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18,20,22-undecaen-24-yl)phenyl]quinazolin-4-yl]phenyl]-2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11(16),12,14,18,20,22-undecaene?
The IUPAC name of 24-[4-(4-phenylquinazolin-2-yl)phenyl]-14-[4-[2-[3-(2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18,20,22-undecaen-24-yl)phenyl]quinazolin-4-yl]phenyl]-2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11(16),12,14,18,20,22-undecaene (CID 129127898) is 24-[4-(4-phenylquinazolin-2-yl)phenyl]-14-[4-[2-[3-(2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18,20,22-undecaen-24-yl)phenyl]quinazolin-4-yl]phenyl]-2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11(16),12,14,18,20,22-undecaene.
What is the SMILES notation for 24-[4-(4-phenylquinazolin-2-yl)phenyl]-14-[4-[2-[3-(2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18,20,22-undecaen-24-yl)phenyl]quinazolin-4-yl]phenyl]-2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11(16),12,14,18,20,22-undecaene?
The canonical SMILES for 24-[4-(4-phenylquinazolin-2-yl)phenyl]-14-[4-[2-[3-(2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18,20,22-undecaen-24-yl)phenyl]quinazolin-4-yl]phenyl]-2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11(16),12,14,18,20,22-undecaene is c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5c6cc(-c7ccc(-c8nc(-c9cccc(-n%10c%11ccccc%11c%11c%12ccccc%12c%12nc%13ccccc%13n%12c%11%10)c9)nc9ccccc89)cc7)ccc6c6nc7ccccc7n6c54)cc3)nc3ccccc23)cc1.
What is the InChIKey of 24-[4-(4-phenylquinazolin-2-yl)phenyl]-14-[4-[2-[3-(2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18,20,22-undecaen-24-yl)phenyl]quinazolin-4-yl]phenyl]-2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11(16),12,14,18,20,22-undecaene?
The InChIKey is LUSBMXJVAFAXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H48N10/c1-2-19-50(20-3-1)75-60-25-6-10-29-65(60)83-77(87-75)52-41-44-55(45-42-52)89-69-33-14-9-28-63(69)74-64-48-53(43-46-59(64)80-86-68-32-13-17-36-72(68)92(80)82(74)89)49-37-39-51(40-38-49)76-61-26-7-11-30-66(61)84-78(88-76)54-21-18-22-56(47-54)90-70-34-15-8-27-62(70)73-57-23-4-5-24-58(57)79-85-67-31-12-16-35-71(67)91(79)81(73)90/h1-48H.
What are the key properties of 24-[4-(4-phenylquinazolin-2-yl)phenyl]-14-[4-[2-[3-(2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18,20,22-undecaen-24-yl)phenyl]quinazolin-4-yl]phenyl]-2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11(16),12,14,18,20,22-undecaene?
24-[4-(4-phenylquinazolin-2-yl)phenyl]-14-[4-[2-[3-(2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18,20,22-undecaen-24-yl)phenyl]quinazolin-4-yl]phenyl]-2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11(16),12,14,18,20,22-undecaene has a molecular weight of 1173.36 g/mol, XLogP of 20.01, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 24-[4-(4-phenylquinazolin-2-yl)phenyl]-14-[4-[2-[3-(2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18,20,22-undecaen-24-yl)phenyl]quinazolin-4-yl]phenyl]-2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11(16),12,14,18,20,22-undecaene is sourced from PubChem (CID 129127898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).