18-(4-phenylquinazolin-2-yl)-6-[3-[2-(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-undecaen-18-yl)quinazolin-4-yl]phenyl]-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaene

C72H40N6OS — CID 147035740

IUPAC18-(4-phenylquinazolin-2-yl)-6-[3-[2-(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-undecaen-18-yl)quinazolin-4-yl]phenyl]-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaene
SMILESc1ccc(-c2nc(-n3c4ccccc4c4c5c6ccc(-c7cccc(-c8nc(-n9c%10ccccc%10c%10c%11c%12ccccc%12sc%11c%11ccccc%11c%109)nc9ccccc89)c7)cc6oc5c5ccccc5c43)nc3ccccc23)cc1
InChIInChI=1S/C72H40N6OS/c1-2-19-41(20-3-1)65-49-27-8-13-32-55(49)73-71(75-65)77-57-34-15-10-29-51(57)61-63-53-38-37-43(40-59(53)79-69(63)47-25-6-4-23-45(47)67(61)77)42-21-18-22-44(39-42)66-50-28-9-14-33-56(50)74-72(76-66)78-58-35-16-11-30-52(58)62-64-54-31-12-17-36-60(54)80-70(64)48-26-7-5-24-46(48)68(62)78/h1-40H
InChIKeyAYLUWFDSOHGBFI-UHFFFAOYSA-N
MW1037.22 g/mol
LogP19.34
Rot. Bonds5

About 18-(4-phenylquinazolin-2-yl)-6-[3-[2-(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-undecaen-18-yl)quinazolin-4-yl]phenyl]-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaene

18-(4-phenylquinazolin-2-yl)-6-[3-[2-(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-undecaen-18-yl)quinazolin-4-yl]phenyl]-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaene (PubChem CID 147035740) has the molecular formula C72H40N6OS and a molecular weight of 1037.22 g/mol. Its IUPAC name is 18-(4-phenylquinazolin-2-yl)-6-[3-[2-(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-undecaen-18-yl)quinazolin-4-yl]phenyl]-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaene.

Molecular Properties

Compound Name18-(4-phenylquinazolin-2-yl)-6-[3-[2-(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-undecaen-18-yl)quinazolin-4-yl]phenyl]-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaene
PubChem CID147035740
Molecular FormulaC72H40N6OS
Molecular Weight1037.22 g/mol
Exact Mass1036.30
IUPAC Name18-(4-phenylquinazolin-2-yl)-6-[3-[2-(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-undecaen-18-yl)quinazolin-4-yl]phenyl]-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaene
SMILESc1ccc(-c2nc(-n3c4ccccc4c4c5c6ccc(-c7cccc(-c8nc(-n9c%10ccccc%10c%10c%11c%12ccccc%12sc%11c%11ccccc%11c%109)nc9ccccc89)c7)cc6oc5c5ccccc5c43)nc3ccccc23)cc1
InChIInChI=1S/C72H40N6OS/c1-2-19-41(20-3-1)65-49-27-8-13-32-55(49)73-71(75-65)77-57-34-15-10-29-51(57)61-63-53-38-37-43(40-59(53)79-69(63)47-25-6-4-23-45(47)67(61)77)42-21-18-22-44(39-42)66-50-28-9-14-33-56(50)74-72(76-66)78-58-35-16-11-30-52(58)62-64-54-31-12-17-36-60(54)80-70(64)48-26-7-5-24-46(48)68(62)78/h1-40H
InChIKeyAYLUWFDSOHGBFI-UHFFFAOYSA-N
XLogP19.34
TPSA74.56 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001037.22
LogP ≤ 519.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 18-(4-phenylquinazolin-2-yl)-6-[3-[2-(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-undecaen-18-yl)quinazolin-4-yl]phenyl]-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaene with MolForge

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Related Compounds

18-(4-phenylquinazolin-2-yl)-12-[18-(4-phenylquinazolin-2-yl)-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(24),20,22-undecaen-21-yl]-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11(16),12,14,19,21,23-undecaene
CID 126496214
26-(4-phenylquinazolin-2-yl)-4,15-dithia-26-azaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene;26-(4-phenylquinazolin-2-yl)-4-oxa-15-thia-26-azaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene
CID 165057098
18-[4-(6-phenylnaphthalen-2-yl)quinazolin-2-yl]-9-oxa-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 118672666
18-[4-[3-[6-(9-phenylcarbazol-3-yl)-9-(4-phenylquinazolin-2-yl)carbazol-3-yl]phenyl]quinazolin-2-yl]-9-oxa-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 146615811
18-[4-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidin-2-yl]-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-[4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidin-2-yl]-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 159535590
12-[6-[4-[4-phenyl-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]phenyl]-18-(4-phenylquinazolin-2-yl)-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19(24),20,22-undecaen-21-yl]-18-(4-phenylquinazolin-2-yl)-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11(16),12,14,19,21,23-undecaene
CID 166815623
9-[3-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[2,3-a]carbazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylquinazolin-2-yl)carbazole;9-phenyl-18-(4-phenylquinazolin-2-yl)-9,18-diazahexacyclo[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-(4-phenylquinazolin-2-yl)-9-oxa-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-(4-phenylquinazolin-2-yl)-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 162125206
18-(4-dibenzofuran-2-ylquinazolin-2-yl)-9-oxa-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 118672656
12-[4-(3-phenylphenyl)quinazolin-2-yl]-9-oxa-12-azaoctacyclo[18.12.0.02,10.03,8.011,19.013,18.021,26.027,32]dotriaconta-1(20),2(10),3,5,7,11(19),13,15,17,21,23,25,27,29,31-pentadecaene
CID 134359241
3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-phenylcarbazole;18-(1,4-diphenylquinazolin-1-ium-2-yl)-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-(4-phenylquinazolin-2-yl)-9-oxa-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 158711047
9-(4-phenylquinazolin-2-yl)-18,24-dithia-9-azaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.023,31.025,30]hentriaconta-1(20),2(10),3,5,7,11(19),12,14,16,21,23(31),25,27,29-tetradecaene
CID 146610266
6-dibenzofuran-4-yl-1-(3-dibenzothiophen-1-ylphenyl)-9-(4-phenylquinazolin-2-yl)carbazole;ethane
CID 142569321

Frequently Asked Questions

What is the IUPAC name of 18-(4-phenylquinazolin-2-yl)-6-[3-[2-(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-undecaen-18-yl)quinazolin-4-yl]phenyl]-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaene?
The IUPAC name of 18-(4-phenylquinazolin-2-yl)-6-[3-[2-(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-undecaen-18-yl)quinazolin-4-yl]phenyl]-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaene (CID 147035740) is 18-(4-phenylquinazolin-2-yl)-6-[3-[2-(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-undecaen-18-yl)quinazolin-4-yl]phenyl]-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaene.
What is the SMILES notation for 18-(4-phenylquinazolin-2-yl)-6-[3-[2-(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-undecaen-18-yl)quinazolin-4-yl]phenyl]-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaene?
The canonical SMILES for 18-(4-phenylquinazolin-2-yl)-6-[3-[2-(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-undecaen-18-yl)quinazolin-4-yl]phenyl]-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaene is c1ccc(-c2nc(-n3c4ccccc4c4c5c6ccc(-c7cccc(-c8nc(-n9c%10ccccc%10c%10c%11c%12ccccc%12sc%11c%11ccccc%11c%109)nc9ccccc89)c7)cc6oc5c5ccccc5c43)nc3ccccc23)cc1.
What is the InChIKey of 18-(4-phenylquinazolin-2-yl)-6-[3-[2-(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-undecaen-18-yl)quinazolin-4-yl]phenyl]-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaene?
The InChIKey is AYLUWFDSOHGBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H40N6OS/c1-2-19-41(20-3-1)65-49-27-8-13-32-55(49)73-71(75-65)77-57-34-15-10-29-51(57)61-63-53-38-37-43(40-59(53)79-69(63)47-25-6-4-23-45(47)67(61)77)42-21-18-22-44(39-42)66-50-28-9-14-33-56(50)74-72(76-66)78-58-35-16-11-30-52(58)62-64-54-31-12-17-36-60(54)80-70(64)48-26-7-5-24-46(48)68(62)78/h1-40H.
What are the key properties of 18-(4-phenylquinazolin-2-yl)-6-[3-[2-(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-undecaen-18-yl)quinazolin-4-yl]phenyl]-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaene?
18-(4-phenylquinazolin-2-yl)-6-[3-[2-(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-undecaen-18-yl)quinazolin-4-yl]phenyl]-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaene has a molecular weight of 1037.22 g/mol, XLogP of 19.34, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 18-(4-phenylquinazolin-2-yl)-6-[3-[2-(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-undecaen-18-yl)quinazolin-4-yl]phenyl]-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaene is sourced from PubChem (CID 147035740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).