3-(4-dibenzofuran-1-ylquinazolin-2-yl)-7-[4-[2-(24-thia-3,5-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaen-3-yl)quinazolin-4-yl]phenyl]-24-thia-3,5-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene

C76H40N8OS2 — CID 134361487

IUPAC3-(4-dibenzofuran-1-ylquinazolin-2-yl)-7-[4-[2-(24-thia-3,5-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaen-3-yl)quinazolin-4-yl]phenyl]-24-thia-3,5-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene
SMILESc1ccc2c(-c3ccc(-c4cnc5c(c4)c4c6ccccc6c6c7ccccc7sc6c4n5-c4nc(-c5cccc6oc7ccccc7c56)c5ccccc5n4)cc3)nc(-n3c4ncccc4c4c5ccccc5c5c6ccccc6sc5c43)nc2c1
InChIInChI=1S/C76H40N8OS2/c1-3-19-46-44(17-1)63-54-27-16-38-77-73(54)83(69(63)71-65(46)51-24-8-13-32-60(51)86-71)75-79-56-28-10-5-21-48(56)67(81-75)42-36-34-41(35-37-42)43-39-55-64-45-18-2-4-20-47(45)66-52-25-9-14-33-61(52)87-72(66)70(64)84(74(55)78-40-43)76-80-57-29-11-6-22-49(57)68(82-76)53-26-15-31-59-62(53)50-23-7-12-30-58(50)85-59/h1-40H
InChIKeyNIYQHTDEHHLPLE-UHFFFAOYSA-N
MW1145.35 g/mol
LogP20.50
Rot. Bonds5

About 3-(4-dibenzofuran-1-ylquinazolin-2-yl)-7-[4-[2-(24-thia-3,5-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaen-3-yl)quinazolin-4-yl]phenyl]-24-thia-3,5-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene

3-(4-dibenzofuran-1-ylquinazolin-2-yl)-7-[4-[2-(24-thia-3,5-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaen-3-yl)quinazolin-4-yl]phenyl]-24-thia-3,5-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene (PubChem CID 134361487) has the molecular formula C76H40N8OS2 and a molecular weight of 1145.35 g/mol. Its IUPAC name is 3-(4-dibenzofuran-1-ylquinazolin-2-yl)-7-[4-[2-(24-thia-3,5-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaen-3-yl)quinazolin-4-yl]phenyl]-24-thia-3,5-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene.

Molecular Properties

Compound Name3-(4-dibenzofuran-1-ylquinazolin-2-yl)-7-[4-[2-(24-thia-3,5-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaen-3-yl)quinazolin-4-yl]phenyl]-24-thia-3,5-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene
PubChem CID134361487
Molecular FormulaC76H40N8OS2
Molecular Weight1145.35 g/mol
Exact Mass1144.28
IUPAC Name3-(4-dibenzofuran-1-ylquinazolin-2-yl)-7-[4-[2-(24-thia-3,5-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaen-3-yl)quinazolin-4-yl]phenyl]-24-thia-3,5-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene
SMILESc1ccc2c(-c3ccc(-c4cnc5c(c4)c4c6ccccc6c6c7ccccc7sc6c4n5-c4nc(-c5cccc6oc7ccccc7c56)c5ccccc5n4)cc3)nc(-n3c4ncccc4c4c5ccccc5c5c6ccccc6sc5c43)nc2c1
InChIInChI=1S/C76H40N8OS2/c1-3-19-46-44(17-1)63-54-27-16-38-77-73(54)83(69(63)71-65(46)51-24-8-13-32-60(51)86-71)75-79-56-28-10-5-21-48(56)67(81-75)42-36-34-41(35-37-42)43-39-55-64-45-18-2-4-20-47(45)66-52-25-9-14-33-61(52)87-72(66)70(64)84(74(55)78-40-43)76-80-57-29-11-6-22-49(57)68(82-76)53-26-15-31-59-62(53)50-23-7-12-30-58(50)85-59/h1-40H
InChIKeyNIYQHTDEHHLPLE-UHFFFAOYSA-N
XLogP20.50
TPSA100.34 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms87
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001145.35
LogP ≤ 520.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 3-(4-dibenzofuran-1-ylquinazolin-2-yl)-7-[4-[2-(24-thia-3,5-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaen-3-yl)quinazolin-4-yl]phenyl]-24-thia-3,5-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(4-dibenzofuran-1-ylquinazolin-2-yl)-7-[4-[2-(24-thia-3,5-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaen-3-yl)quinazolin-4-yl]phenyl]-24-thia-3,5-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene?
The IUPAC name of 3-(4-dibenzofuran-1-ylquinazolin-2-yl)-7-[4-[2-(24-thia-3,5-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaen-3-yl)quinazolin-4-yl]phenyl]-24-thia-3,5-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene (CID 134361487) is 3-(4-dibenzofuran-1-ylquinazolin-2-yl)-7-[4-[2-(24-thia-3,5-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaen-3-yl)quinazolin-4-yl]phenyl]-24-thia-3,5-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene.
What is the SMILES notation for 3-(4-dibenzofuran-1-ylquinazolin-2-yl)-7-[4-[2-(24-thia-3,5-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaen-3-yl)quinazolin-4-yl]phenyl]-24-thia-3,5-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene?
The canonical SMILES for 3-(4-dibenzofuran-1-ylquinazolin-2-yl)-7-[4-[2-(24-thia-3,5-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaen-3-yl)quinazolin-4-yl]phenyl]-24-thia-3,5-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene is c1ccc2c(-c3ccc(-c4cnc5c(c4)c4c6ccccc6c6c7ccccc7sc6c4n5-c4nc(-c5cccc6oc7ccccc7c56)c5ccccc5n4)cc3)nc(-n3c4ncccc4c4c5ccccc5c5c6ccccc6sc5c43)nc2c1.
What is the InChIKey of 3-(4-dibenzofuran-1-ylquinazolin-2-yl)-7-[4-[2-(24-thia-3,5-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaen-3-yl)quinazolin-4-yl]phenyl]-24-thia-3,5-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene?
The InChIKey is NIYQHTDEHHLPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H40N8OS2/c1-3-19-46-44(17-1)63-54-27-16-38-77-73(54)83(69(63)71-65(46)51-24-8-13-32-60(51)86-71)75-79-56-28-10-5-21-48(56)67(81-75)42-36-34-41(35-37-42)43-39-55-64-45-18-2-4-20-47(45)66-52-25-9-14-33-61(52)87-72(66)70(64)84(74(55)78-40-43)76-80-57-29-11-6-22-49(57)68(82-76)53-26-15-31-59-62(53)50-23-7-12-30-58(50)85-59/h1-40H.
What are the key properties of 3-(4-dibenzofuran-1-ylquinazolin-2-yl)-7-[4-[2-(24-thia-3,5-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaen-3-yl)quinazolin-4-yl]phenyl]-24-thia-3,5-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene?
3-(4-dibenzofuran-1-ylquinazolin-2-yl)-7-[4-[2-(24-thia-3,5-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaen-3-yl)quinazolin-4-yl]phenyl]-24-thia-3,5-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene has a molecular weight of 1145.35 g/mol, XLogP of 20.50, 5 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-dibenzofuran-1-ylquinazolin-2-yl)-7-[4-[2-(24-thia-3,5-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaen-3-yl)quinazolin-4-yl]phenyl]-24-thia-3,5-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene is sourced from PubChem (CID 134361487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).