methane;5-[4-(4-phenylphenyl)quinazolin-2-yl]-[1]benzofuro[3,2-c]carbazole;7-phenyl-10-[9-(3-phenylquinoxalin-2-yl)carbazol-3-yl]benzo[c]carbazole;24-(4-phenylquinazolin-2-yl)-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-undecaene

C123H78N10OS — CID 159012410

About methane;5-[4-(4-phenylphenyl)quinazolin-2-yl]-[1]benzofuro[3,2-c]carbazole;7-phenyl-10-[9-(3-phenylquinoxalin-2-yl)carbazol-3-yl]benzo[c]carbazole;24-(4-phenylquinazolin-2-yl)-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-undecaene

methane;5-[4-(4-phenylphenyl)quinazolin-2-yl]-[1]benzofuro[3,2-c]carbazole;7-phenyl-10-[9-(3-phenylquinoxalin-2-yl)carbazol-3-yl]benzo[c]carbazole;24-(4-phenylquinazolin-2-yl)-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-undecaene (PubChem CID 159012410) has the molecular formula C123H78N10OS and a molecular weight of 1744.11 g/mol. Its IUPAC name is methane;5-[4-(4-phenylphenyl)quinazolin-2-yl]-[1]benzofuro[3,2-c]carbazole;7-phenyl-10-[9-(3-phenylquinoxalin-2-yl)carbazol-3-yl]benzo[c]carbazole;24-(4-phenylquinazolin-2-yl)-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-undecaene.

Molecular Properties

• Compound Name: methane;5-[4-(4-phenylphenyl)quinazolin-2-yl]-[1]benzofuro[3,2-c]carbazole;7-phenyl-10-[9-(3-phenylquinoxalin-2-yl)carbazol-3-yl]benzo[c]carbazole;24-(4-phenylquinazolin-2-yl)-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-undecaene
• PubChem CID: 159012410
• Molecular Formula: C123H78N10OS
• Molecular Weight: 1744.11 g/mol
• Exact Mass: 1742.61
• IUPAC Name: methane;5-[4-(4-phenylphenyl)quinazolin-2-yl]-[1]benzofuro[3,2-c]carbazole;7-phenyl-10-[9-(3-phenylquinoxalin-2-yl)carbazol-3-yl]benzo[c]carbazole;24-(4-phenylquinazolin-2-yl)-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-undecaene
• SMILES: C.c1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)nc4ccccc34)cc2)cc1.c1ccc(-c2nc(-n3c4ccccc4c4c5ccccc5c5c6ccccc6sc5c43)nc3ccccc23)cc1.c1ccc(-c2nc3ccccc3nc2-n2c3ccccc3c3cc(-c4ccc5c(c4)c4c6ccccc6ccc4n5-c4ccccc4)ccc32)cc1
• InChI: InChI=1S/C48H30N4.C38H23N3O.C36H21N3S.CH4/c1-3-14-32(15-4-1)47-48(50-41-21-11-10-20-40(41)49-47)52-42-22-12-9-19-37(42)38-29-33(24-26-43(38)52)34-25-27-44-39(30-34)46-36-18-8-7-13-31(36)23-28-45(46)51(44)35-16-5-2-6-17-35;1-2-10-24(11-3-1)25-18-20-26(21-19-25)36-29-13-4-7-15-31(29)39-38(40-36)41-32-16-8-5-14-30(32)35-33(41)23-22-28-27-12-6-9-17-34(27)42-37(28)35;1-2-12-22(13-3-1)33-25-16-6-9-19-28(25)37-36(38-33)39-29-20-10-7-17-26(29)31-23-14-4-5-15-24(23)32-27-18-8-11-21-30(27)40-35(32)34(31)39;/h1-30H;1-23H;1-21H;1H4
• InChIKey: JSQVBYKGBNRWGA-UHFFFAOYSA-N
• XLogP: 32.82
• TPSA: 110.20 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1744.11
LogP ≤ 5	32.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of methane;5-[4-(4-phenylphenyl)quinazolin-2-yl]-[1]benzofuro[3,2-c]carbazole;7-phenyl-10-[9-(3-phenylquinoxalin-2-yl)carbazol-3-yl]benzo[c]carbazole;24-(4-phenylquinazolin-2-yl)-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-undecaene?

The IUPAC name of methane;5-[4-(4-phenylphenyl)quinazolin-2-yl]-[1]benzofuro[3,2-c]carbazole;7-phenyl-10-[9-(3-phenylquinoxalin-2-yl)carbazol-3-yl]benzo[c]carbazole;24-(4-phenylquinazolin-2-yl)-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-undecaene (CID 159012410) is methane;5-[4-(4-phenylphenyl)quinazolin-2-yl]-[1]benzofuro[3,2-c]carbazole;7-phenyl-10-[9-(3-phenylquinoxalin-2-yl)carbazol-3-yl]benzo[c]carbazole;24-(4-phenylquinazolin-2-yl)-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-undecaene.

What is the SMILES notation for methane;5-[4-(4-phenylphenyl)quinazolin-2-yl]-[1]benzofuro[3,2-c]carbazole;7-phenyl-10-[9-(3-phenylquinoxalin-2-yl)carbazol-3-yl]benzo[c]carbazole;24-(4-phenylquinazolin-2-yl)-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-undecaene?

The canonical SMILES for methane;5-[4-(4-phenylphenyl)quinazolin-2-yl]-[1]benzofuro[3,2-c]carbazole;7-phenyl-10-[9-(3-phenylquinoxalin-2-yl)carbazol-3-yl]benzo[c]carbazole;24-(4-phenylquinazolin-2-yl)-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-undecaene is C.c1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)nc4ccccc34)cc2)cc1.c1ccc(-c2nc(-n3c4ccccc4c4c5ccccc5c5c6ccccc6sc5c43)nc3ccccc23)cc1.c1ccc(-c2nc3ccccc3nc2-n2c3ccccc3c3cc(-c4ccc5c(c4)c4c6ccccc6ccc4n5-c4ccccc4)ccc32)cc1.

What is the InChIKey of methane;5-[4-(4-phenylphenyl)quinazolin-2-yl]-[1]benzofuro[3,2-c]carbazole;7-phenyl-10-[9-(3-phenylquinoxalin-2-yl)carbazol-3-yl]benzo[c]carbazole;24-(4-phenylquinazolin-2-yl)-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-undecaene?

The InChIKey is JSQVBYKGBNRWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N4.C38H23N3O.C36H21N3S.CH4/c1-3-14-32(15-4-1)47-48(50-41-21-11-10-20-40(41)49-47)52-42-22-12-9-19-37(42)38-29-33(24-26-43(38)52)34-25-27-44-39(30-34)46-36-18-8-7-13-31(36)23-28-45(46)51(44)35-16-5-2-6-17-35;1-2-10-24(11-3-1)25-18-20-26(21-19-25)36-29-13-4-7-15-31(29)39-38(40-36)41-32-16-8-5-14-30(32)35-33(41)23-22-28-27-12-6-9-17-34(27)42-37(28)35;1-2-12-22(13-3-1)33-25-16-6-9-19-28(25)37-36(38-33)39-29-20-10-7-17-26(29)31-23-14-4-5-15-24(23)32-27-18-8-11-21-30(27)40-35(32)34(31)39;/h1-30H;1-23H;1-21H;1H4.

What are the key properties of methane;5-[4-(4-phenylphenyl)quinazolin-2-yl]-[1]benzofuro[3,2-c]carbazole;7-phenyl-10-[9-(3-phenylquinoxalin-2-yl)carbazol-3-yl]benzo[c]carbazole;24-(4-phenylquinazolin-2-yl)-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-undecaene?

methane;5-[4-(4-phenylphenyl)quinazolin-2-yl]-[1]benzofuro[3,2-c]carbazole;7-phenyl-10-[9-(3-phenylquinoxalin-2-yl)carbazol-3-yl]benzo[c]carbazole;24-(4-phenylquinazolin-2-yl)-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-undecaene has a molecular weight of 1744.11 g/mol, XLogP of 32.82, 9 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for methane;5-[4-(4-phenylphenyl)quinazolin-2-yl]-[1]benzofuro[3,2-c]carbazole;7-phenyl-10-[9-(3-phenylquinoxalin-2-yl)carbazol-3-yl]benzo[c]carbazole;24-(4-phenylquinazolin-2-yl)-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-undecaene is sourced from PubChem (CID 159012410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).