19-benzo[b]carbazol-5-yl-12-(4-phenylquinazolin-2-yl)-23-oxa-12-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17(22),18,20-undecaene

C52H30N4O — CID 155335645

About 19-benzo[b]carbazol-5-yl-12-(4-phenylquinazolin-2-yl)-23-oxa-12-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17(22),18,20-undecaene

19-benzo[b]carbazol-5-yl-12-(4-phenylquinazolin-2-yl)-23-oxa-12-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17(22),18,20-undecaene (PubChem CID 155335645) has the molecular formula C52H30N4O and a molecular weight of 726.84 g/mol. Its IUPAC name is 19-benzo[b]carbazol-5-yl-12-(4-phenylquinazolin-2-yl)-23-oxa-12-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17(22),18,20-undecaene.

Molecular Properties

• Compound Name: 19-benzo[b]carbazol-5-yl-12-(4-phenylquinazolin-2-yl)-23-oxa-12-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17(22),18,20-undecaene
• PubChem CID: 155335645
• Molecular Formula: C52H30N4O
• Molecular Weight: 726.84 g/mol
• Exact Mass: 726.24
• IUPAC Name: 19-benzo[b]carbazol-5-yl-12-(4-phenylquinazolin-2-yl)-23-oxa-12-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17(22),18,20-undecaene
• SMILES: c1ccc(-c2nc(-n3c4ccc5ccccc5c4c4c5oc6ccc(-n7c8ccccc8c8cc9ccccc9cc87)cc6c5ccc43)nc3ccccc23)cc1
• InChI: InChI=1S/C52H30N4O/c1-2-13-32(14-3-1)50-39-19-8-10-20-42(39)53-52(54-50)56-44-25-22-31-12-6-7-17-36(31)48(44)49-45(56)26-24-38-41-30-35(23-27-47(41)57-51(38)49)55-43-21-11-9-18-37(43)40-28-33-15-4-5-16-34(33)29-46(40)55/h1-30H
• InChIKey: XBSIHGFPSXJHER-UHFFFAOYSA-N
• XLogP: 13.70
• TPSA: 48.78 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	726.84
LogP ≤ 5	13.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 19-benzo[b]carbazol-5-yl-12-(4-phenylquinazolin-2-yl)-23-oxa-12-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17(22),18,20-undecaene?

The IUPAC name of 19-benzo[b]carbazol-5-yl-12-(4-phenylquinazolin-2-yl)-23-oxa-12-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17(22),18,20-undecaene (CID 155335645) is 19-benzo[b]carbazol-5-yl-12-(4-phenylquinazolin-2-yl)-23-oxa-12-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17(22),18,20-undecaene.

What is the SMILES notation for 19-benzo[b]carbazol-5-yl-12-(4-phenylquinazolin-2-yl)-23-oxa-12-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17(22),18,20-undecaene?

The canonical SMILES for 19-benzo[b]carbazol-5-yl-12-(4-phenylquinazolin-2-yl)-23-oxa-12-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17(22),18,20-undecaene is c1ccc(-c2nc(-n3c4ccc5ccccc5c4c4c5oc6ccc(-n7c8ccccc8c8cc9ccccc9cc87)cc6c5ccc43)nc3ccccc23)cc1.

What is the InChIKey of 19-benzo[b]carbazol-5-yl-12-(4-phenylquinazolin-2-yl)-23-oxa-12-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17(22),18,20-undecaene?

The InChIKey is XBSIHGFPSXJHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H30N4O/c1-2-13-32(14-3-1)50-39-19-8-10-20-42(39)53-52(54-50)56-44-25-22-31-12-6-7-17-36(31)48(44)49-45(56)26-24-38-41-30-35(23-27-47(41)57-51(38)49)55-43-21-11-9-18-37(43)40-28-33-15-4-5-16-34(33)29-46(40)55/h1-30H.

What are the key properties of 19-benzo[b]carbazol-5-yl-12-(4-phenylquinazolin-2-yl)-23-oxa-12-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17(22),18,20-undecaene?

19-benzo[b]carbazol-5-yl-12-(4-phenylquinazolin-2-yl)-23-oxa-12-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17(22),18,20-undecaene has a molecular weight of 726.84 g/mol, XLogP of 13.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 19-benzo[b]carbazol-5-yl-12-(4-phenylquinazolin-2-yl)-23-oxa-12-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17(22),18,20-undecaene is sourced from PubChem (CID 155335645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).