N-dibenzofuran-1-yl-N-(4-dibenzofuran-4-ylphenyl)-2-(3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-24-yl)quinazolin-4-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-2-(3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-24-yl)quinazolin-4-amine;N-(9,9-dimethylfluoren-4-yl)-N-naphthalen-2-yl-2-(3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-24-yl)quinazolin-4-amine

C178H110N12O3S3 — CID 158441358

About N-dibenzofuran-1-yl-N-(4-dibenzofuran-4-ylphenyl)-2-(3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-24-yl)quinazolin-4-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-2-(3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-24-yl)quinazolin-4-amine;N-(9,9-dimethylfluoren-4-yl)-N-naphthalen-2-yl-2-(3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-24-yl)quinazolin-4-amine

N-dibenzofuran-1-yl-N-(4-dibenzofuran-4-ylphenyl)-2-(3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-24-yl)quinazolin-4-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-2-(3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-24-yl)quinazolin-4-amine;N-(9,9-dimethylfluoren-4-yl)-N-naphthalen-2-yl-2-(3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-24-yl)quinazolin-4-amine (PubChem CID 158441358) has the molecular formula C178H110N12O3S3 and a molecular weight of 2561.12 g/mol. Its IUPAC name is N-dibenzofuran-1-yl-N-(4-dibenzofuran-4-ylphenyl)-2-(3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-24-yl)quinazolin-4-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-2-(3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-24-yl)quinazolin-4-amine;N-(9,9-dimethylfluoren-4-yl)-N-naphthalen-2-yl-2-(3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-24-yl)quinazolin-4-amine.

Molecular Properties

• Compound Name: N-dibenzofuran-1-yl-N-(4-dibenzofuran-4-ylphenyl)-2-(3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-24-yl)quinazolin-4-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-2-(3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-24-yl)quinazolin-4-amine;N-(9,9-dimethylfluoren-4-yl)-N-naphthalen-2-yl-2-(3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-24-yl)quinazolin-4-amine
• PubChem CID: 158441358
• Molecular Formula: C178H110N12O3S3
• Molecular Weight: 2561.12 g/mol
• Exact Mass: 2558.80
• IUPAC Name: N-dibenzofuran-1-yl-N-(4-dibenzofuran-4-ylphenyl)-2-(3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-24-yl)quinazolin-4-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-2-(3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-24-yl)quinazolin-4-amine;N-(9,9-dimethylfluoren-4-yl)-N-naphthalen-2-yl-2-(3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-24-yl)quinazolin-4-amine
• SMILES: CC1(C)c2ccccc2-c2c(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3nc(-n4c5ccccc5c5c6ccccc6c6c7ccccc7sc6c54)nc4ccccc34)cccc21.CC1(C)c2ccccc2-c2c(N(c3ccc4ccccc4c3)c3nc(-n4c5ccccc5c5c6ccccc6c6c7ccccc7sc6c54)nc4ccccc34)cccc21.c1ccc2c(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3cccc4oc5ccccc5c34)nc(-n3c4ccccc4c4c5ccccc5c5c6ccccc6sc5c43)nc2c1
• InChI: InChI=1S/C63H40N4OS.C60H34N4O2S.C55H36N4S/c1-63(2)48-26-10-5-20-44(48)57-49(63)27-16-30-52(57)66(38-35-33-37(34-36-38)39-24-15-25-43-40-17-8-13-31-53(40)68-59(39)43)61-45-21-6-11-28-50(45)64-62(65-61)67-51-29-12-7-22-46(51)55-41-18-3-4-19-42(41)56-47-23-9-14-32-54(47)69-60(56)58(55)67;1-2-17-40-39(16-1)53-43-19-4-9-25-47(43)64(56(53)58-54(40)45-21-7-12-30-52(45)67-58)60-61-46-24-8-3-18-42(46)59(62-60)63(48-26-14-29-51-55(48)44-20-6-11-28-50(44)65-51)36-33-31-35(32-34-36)37-22-13-23-41-38-15-5-10-27-49(38)66-57(37)41;1-55(2)42-24-11-7-20-38(42)50-43(55)25-15-28-46(50)58(35-31-30-33-16-3-4-17-34(33)32-35)53-39-21-8-12-26-44(39)56-54(57-53)59-45-27-13-9-22-40(45)48-36-18-5-6-19-37(36)49-41-23-10-14-29-47(41)60-52(49)51(48)59/h3-36H,1-2H3;1-34H;3-32H,1-2H3
• InChIKey: HCVWLQXUVMNUJV-UHFFFAOYSA-N
• XLogP: 49.95
• TPSA: 141.27 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 14
• Heavy Atoms: 196
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2561.12
LogP ≤ 5	49.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-1-yl-N-(4-dibenzofuran-4-ylphenyl)-2-(3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-24-yl)quinazolin-4-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-2-(3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-24-yl)quinazolin-4-amine;N-(9,9-dimethylfluoren-4-yl)-N-naphthalen-2-yl-2-(3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-24-yl)quinazolin-4-amine?

The IUPAC name of N-dibenzofuran-1-yl-N-(4-dibenzofuran-4-ylphenyl)-2-(3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-24-yl)quinazolin-4-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-2-(3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-24-yl)quinazolin-4-amine;N-(9,9-dimethylfluoren-4-yl)-N-naphthalen-2-yl-2-(3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-24-yl)quinazolin-4-amine (CID 158441358) is N-dibenzofuran-1-yl-N-(4-dibenzofuran-4-ylphenyl)-2-(3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-24-yl)quinazolin-4-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-2-(3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-24-yl)quinazolin-4-amine;N-(9,9-dimethylfluoren-4-yl)-N-naphthalen-2-yl-2-(3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-24-yl)quinazolin-4-amine.

What is the SMILES notation for N-dibenzofuran-1-yl-N-(4-dibenzofuran-4-ylphenyl)-2-(3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-24-yl)quinazolin-4-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-2-(3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-24-yl)quinazolin-4-amine;N-(9,9-dimethylfluoren-4-yl)-N-naphthalen-2-yl-2-(3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-24-yl)quinazolin-4-amine?

The canonical SMILES for N-dibenzofuran-1-yl-N-(4-dibenzofuran-4-ylphenyl)-2-(3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-24-yl)quinazolin-4-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-2-(3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-24-yl)quinazolin-4-amine;N-(9,9-dimethylfluoren-4-yl)-N-naphthalen-2-yl-2-(3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-24-yl)quinazolin-4-amine is CC1(C)c2ccccc2-c2c(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3nc(-n4c5ccccc5c5c6ccccc6c6c7ccccc7sc6c54)nc4ccccc34)cccc21.CC1(C)c2ccccc2-c2c(N(c3ccc4ccccc4c3)c3nc(-n4c5ccccc5c5c6ccccc6c6c7ccccc7sc6c54)nc4ccccc34)cccc21.c1ccc2c(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3cccc4oc5ccccc5c34)nc(-n3c4ccccc4c4c5ccccc5c5c6ccccc6sc5c43)nc2c1.

What is the InChIKey of N-dibenzofuran-1-yl-N-(4-dibenzofuran-4-ylphenyl)-2-(3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-24-yl)quinazolin-4-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-2-(3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-24-yl)quinazolin-4-amine;N-(9,9-dimethylfluoren-4-yl)-N-naphthalen-2-yl-2-(3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-24-yl)quinazolin-4-amine?

The InChIKey is HCVWLQXUVMNUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H40N4OS.C60H34N4O2S.C55H36N4S/c1-63(2)48-26-10-5-20-44(48)57-49(63)27-16-30-52(57)66(38-35-33-37(34-36-38)39-24-15-25-43-40-17-8-13-31-53(40)68-59(39)43)61-45-21-6-11-28-50(45)64-62(65-61)67-51-29-12-7-22-46(51)55-41-18-3-4-19-42(41)56-47-23-9-14-32-54(47)69-60(56)58(55)67;1-2-17-40-39(16-1)53-43-19-4-9-25-47(43)64(56(53)58-54(40)45-21-7-12-30-52(45)67-58)60-61-46-24-8-3-18-42(46)59(62-60)63(48-26-14-29-51-55(48)44-20-6-11-28-50(44)65-51)36-33-31-35(32-34-36)37-22-13-23-41-38-15-5-10-27-49(38)66-57(37)41;1-55(2)42-24-11-7-20-38(42)50-43(55)25-15-28-46(50)58(35-31-30-33-16-3-4-17-34(33)32-35)53-39-21-8-12-26-44(39)56-54(57-53)59-45-27-13-9-22-40(45)48-36-18-5-6-19-37(36)49-41-23-10-14-29-47(41)60-52(49)51(48)59/h3-36H,1-2H3;1-34H;3-32H,1-2H3.

What are the key properties of N-dibenzofuran-1-yl-N-(4-dibenzofuran-4-ylphenyl)-2-(3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-24-yl)quinazolin-4-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-2-(3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-24-yl)quinazolin-4-amine;N-(9,9-dimethylfluoren-4-yl)-N-naphthalen-2-yl-2-(3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-24-yl)quinazolin-4-amine?

N-dibenzofuran-1-yl-N-(4-dibenzofuran-4-ylphenyl)-2-(3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-24-yl)quinazolin-4-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-2-(3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-24-yl)quinazolin-4-amine;N-(9,9-dimethylfluoren-4-yl)-N-naphthalen-2-yl-2-(3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-24-yl)quinazolin-4-amine has a molecular weight of 2561.12 g/mol, XLogP of 49.95, 14 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for N-dibenzofuran-1-yl-N-(4-dibenzofuran-4-ylphenyl)-2-(3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-24-yl)quinazolin-4-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-2-(3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-24-yl)quinazolin-4-amine;N-(9,9-dimethylfluoren-4-yl)-N-naphthalen-2-yl-2-(3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-24-yl)quinazolin-4-amine is sourced from PubChem (CID 158441358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).