18-[3-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;18-[3-(4-naphthalen-2-ylquinazolin-2-yl)phenyl]-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;18-[3-[4-(3-phenylphenyl)quinazolin-2-yl]phenyl]-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;18-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene

C188H112N12S4 — CID 158531792

About 18-[3-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;18-[3-(4-naphthalen-2-ylquinazolin-2-yl)phenyl]-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;18-[3-[4-(3-phenylphenyl)quinazolin-2-yl]phenyl]-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;18-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene

18-[3-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;18-[3-(4-naphthalen-2-ylquinazolin-2-yl)phenyl]-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;18-[3-[4-(3-phenylphenyl)quinazolin-2-yl]phenyl]-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;18-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene (PubChem CID 158531792) has the molecular formula C188H112N12S4 and a molecular weight of 2667.32 g/mol. Its IUPAC name is 18-[3-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;18-[3-(4-naphthalen-2-ylquinazolin-2-yl)phenyl]-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;18-[3-[4-(3-phenylphenyl)quinazolin-2-yl]phenyl]-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;18-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene.

Molecular Properties

• Compound Name: 18-[3-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;18-[3-(4-naphthalen-2-ylquinazolin-2-yl)phenyl]-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;18-[3-[4-(3-phenylphenyl)quinazolin-2-yl]phenyl]-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;18-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene
• PubChem CID: 158531792
• Molecular Formula: C188H112N12S4
• Molecular Weight: 2667.32 g/mol
• Exact Mass: 2664.80
• IUPAC Name: 18-[3-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;18-[3-(4-naphthalen-2-ylquinazolin-2-yl)phenyl]-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;18-[3-[4-(3-phenylphenyl)quinazolin-2-yl]phenyl]-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;18-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene
• SMILES: c1cc(-c2nc(-c3ccc4ccccc4c3)c3ccccc3n2)cc(-n2c3ccccc3c3c4c5ccccc5sc4c4ccccc4c32)c1.c1cc(-c2nc(-c3cccc4ccccc34)c3ccccc3n2)cc(-n2c3ccccc3c3c4c5ccccc5sc4c4ccccc4c32)c1.c1ccc(-c2ccc(-c3nc(-c4cccc(-n5c6ccccc6c6c7c8ccccc8sc7c7ccccc7c65)c4)nc4ccccc34)cc2)cc1.c1ccc(-c2cccc(-c3nc(-c4cccc(-n5c6ccccc6c6c7c8ccccc8sc7c7ccccc7c65)c4)nc4ccccc34)c2)cc1
• InChI: InChI=1S/2C48H29N3S.2C46H27N3S/c1-2-14-30(15-3-1)31-16-12-17-32(28-31)45-37-22-6-9-25-40(37)49-48(50-45)33-18-13-19-34(29-33)51-41-26-10-7-23-38(41)43-44-39-24-8-11-27-42(39)52-47(44)36-21-5-4-20-35(36)46(43)51;1-2-13-30(14-3-1)31-25-27-32(28-26-31)45-37-19-6-9-22-40(37)49-48(50-45)33-15-12-16-34(29-33)51-41-23-10-7-20-38(41)43-44-39-21-8-11-24-42(39)52-47(44)36-18-5-4-17-35(36)46(43)51;1-2-17-31-28(13-1)14-12-23-32(31)43-35-20-5-8-24-38(35)47-46(48-43)29-15-11-16-30(27-29)49-39-25-9-6-21-36(39)41-42-37-22-7-10-26-40(37)50-45(42)34-19-4-3-18-33(34)44(41)49;1-2-13-29-26-30(25-24-28(29)12-1)43-35-18-5-8-21-38(35)47-46(48-43)31-14-11-15-32(27-31)49-39-22-9-6-19-36(39)41-42-37-20-7-10-23-40(37)50-45(42)34-17-4-3-16-33(34)44(41)49/h2*1-29H;2*1-27H
• InChIKey: HNLRFKKZGBIBFF-UHFFFAOYSA-N
• XLogP: 51.97
• TPSA: 122.84 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 14
• Heavy Atoms: 204
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2667.32
LogP ≤ 5	51.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 18-[3-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;18-[3-(4-naphthalen-2-ylquinazolin-2-yl)phenyl]-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;18-[3-[4-(3-phenylphenyl)quinazolin-2-yl]phenyl]-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;18-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene?

The IUPAC name of 18-[3-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;18-[3-(4-naphthalen-2-ylquinazolin-2-yl)phenyl]-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;18-[3-[4-(3-phenylphenyl)quinazolin-2-yl]phenyl]-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;18-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene (CID 158531792) is 18-[3-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;18-[3-(4-naphthalen-2-ylquinazolin-2-yl)phenyl]-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;18-[3-[4-(3-phenylphenyl)quinazolin-2-yl]phenyl]-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;18-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene.

What is the SMILES notation for 18-[3-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;18-[3-(4-naphthalen-2-ylquinazolin-2-yl)phenyl]-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;18-[3-[4-(3-phenylphenyl)quinazolin-2-yl]phenyl]-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;18-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene?

The canonical SMILES for 18-[3-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;18-[3-(4-naphthalen-2-ylquinazolin-2-yl)phenyl]-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;18-[3-[4-(3-phenylphenyl)quinazolin-2-yl]phenyl]-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;18-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene is c1cc(-c2nc(-c3ccc4ccccc4c3)c3ccccc3n2)cc(-n2c3ccccc3c3c4c5ccccc5sc4c4ccccc4c32)c1.c1cc(-c2nc(-c3cccc4ccccc34)c3ccccc3n2)cc(-n2c3ccccc3c3c4c5ccccc5sc4c4ccccc4c32)c1.c1ccc(-c2ccc(-c3nc(-c4cccc(-n5c6ccccc6c6c7c8ccccc8sc7c7ccccc7c65)c4)nc4ccccc34)cc2)cc1.c1ccc(-c2cccc(-c3nc(-c4cccc(-n5c6ccccc6c6c7c8ccccc8sc7c7ccccc7c65)c4)nc4ccccc34)c2)cc1.

What is the InChIKey of 18-[3-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;18-[3-(4-naphthalen-2-ylquinazolin-2-yl)phenyl]-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;18-[3-[4-(3-phenylphenyl)quinazolin-2-yl]phenyl]-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;18-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene?

The InChIKey is HNLRFKKZGBIBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C48H29N3S.2C46H27N3S/c1-2-14-30(15-3-1)31-16-12-17-32(28-31)45-37-22-6-9-25-40(37)49-48(50-45)33-18-13-19-34(29-33)51-41-26-10-7-23-38(41)43-44-39-24-8-11-27-42(39)52-47(44)36-21-5-4-20-35(36)46(43)51;1-2-13-30(14-3-1)31-25-27-32(28-26-31)45-37-19-6-9-22-40(37)49-48(50-45)33-15-12-16-34(29-33)51-41-23-10-7-20-38(41)43-44-39-21-8-11-24-42(39)52-47(44)36-18-5-4-17-35(36)46(43)51;1-2-17-31-28(13-1)14-12-23-32(31)43-35-20-5-8-24-38(35)47-46(48-43)29-15-11-16-30(27-29)49-39-25-9-6-21-36(39)41-42-37-22-7-10-26-40(37)50-45(42)34-19-4-3-18-33(34)44(41)49;1-2-13-29-26-30(25-24-28(29)12-1)43-35-18-5-8-21-38(35)47-46(48-43)31-14-11-15-32(27-31)49-39-22-9-6-19-36(39)41-42-37-20-7-10-23-40(37)50-45(42)34-17-4-3-16-33(34)44(41)49/h2*1-29H;2*1-27H.

What are the key properties of 18-[3-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;18-[3-(4-naphthalen-2-ylquinazolin-2-yl)phenyl]-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;18-[3-[4-(3-phenylphenyl)quinazolin-2-yl]phenyl]-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;18-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene?

18-[3-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;18-[3-(4-naphthalen-2-ylquinazolin-2-yl)phenyl]-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;18-[3-[4-(3-phenylphenyl)quinazolin-2-yl]phenyl]-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;18-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene has a molecular weight of 2667.32 g/mol, XLogP of 51.97, 14 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 18-[3-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;18-[3-(4-naphthalen-2-ylquinazolin-2-yl)phenyl]-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;18-[3-[4-(3-phenylphenyl)quinazolin-2-yl]phenyl]-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;18-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene is sourced from PubChem (CID 158531792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).