bromobenzene;2-chloro-4-(5-chloro-2-pyridinyl)pyridine;5,12-dihydroindolo[3,2-c]carbazole;12-[4-[5-(5H-indolo[3,2-c]carbazol-12-yl)-2-pyridinyl]-2-pyridinyl]-5H-indolo[3,2-c]carbazole;5-phenyl-12-[4-[5-(5-phenylindolo[3,2-c]carbazol-12-yl)-2-pyridinyl]-2-pyridinyl]indolo[3,2-c]carbazole

C138H87BrCl2N16 — CID 157316808

About bromobenzene;2-chloro-4-(5-chloro-2-pyridinyl)pyridine;5,12-dihydroindolo[3,2-c]carbazole;12-[4-[5-(5H-indolo[3,2-c]carbazol-12-yl)-2-pyridinyl]-2-pyridinyl]-5H-indolo[3,2-c]carbazole;5-phenyl-12-[4-[5-(5-phenylindolo[3,2-c]carbazol-12-yl)-2-pyridinyl]-2-pyridinyl]indolo[3,2-c]carbazole

bromobenzene;2-chloro-4-(5-chloro-2-pyridinyl)pyridine;5,12-dihydroindolo[3,2-c]carbazole;12-[4-[5-(5H-indolo[3,2-c]carbazol-12-yl)-2-pyridinyl]-2-pyridinyl]-5H-indolo[3,2-c]carbazole;5-phenyl-12-[4-[5-(5-phenylindolo[3,2-c]carbazol-12-yl)-2-pyridinyl]-2-pyridinyl]indolo[3,2-c]carbazole (PubChem CID 157316808) has the molecular formula C138H87BrCl2N16 and a molecular weight of 2120.14 g/mol. Its IUPAC name is bromobenzene;2-chloro-4-(5-chloro-2-pyridinyl)pyridine;5,12-dihydroindolo[3,2-c]carbazole;12-[4-[5-(5H-indolo[3,2-c]carbazol-12-yl)-2-pyridinyl]-2-pyridinyl]-5H-indolo[3,2-c]carbazole;5-phenyl-12-[4-[5-(5-phenylindolo[3,2-c]carbazol-12-yl)-2-pyridinyl]-2-pyridinyl]indolo[3,2-c]carbazole.

Molecular Properties

• Compound Name: bromobenzene;2-chloro-4-(5-chloro-2-pyridinyl)pyridine;5,12-dihydroindolo[3,2-c]carbazole;12-[4-[5-(5H-indolo[3,2-c]carbazol-12-yl)-2-pyridinyl]-2-pyridinyl]-5H-indolo[3,2-c]carbazole;5-phenyl-12-[4-[5-(5-phenylindolo[3,2-c]carbazol-12-yl)-2-pyridinyl]-2-pyridinyl]indolo[3,2-c]carbazole
• PubChem CID: 157316808
• Molecular Formula: C138H87BrCl2N16
• Molecular Weight: 2120.14 g/mol
• Exact Mass: 2116.59
• IUPAC Name: bromobenzene;2-chloro-4-(5-chloro-2-pyridinyl)pyridine;5,12-dihydroindolo[3,2-c]carbazole;12-[4-[5-(5H-indolo[3,2-c]carbazol-12-yl)-2-pyridinyl]-2-pyridinyl]-5H-indolo[3,2-c]carbazole;5-phenyl-12-[4-[5-(5-phenylindolo[3,2-c]carbazol-12-yl)-2-pyridinyl]-2-pyridinyl]indolo[3,2-c]carbazole
• SMILES: Brc1ccccc1.Clc1ccc(-c2ccnc(Cl)c2)nc1.c1ccc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccc(-c5ccnc(-n6c7ccccc7c7ccc8c(c9ccccc9n8-c8ccccc8)c76)c5)nc4)c23)cc1.c1ccc2c(c1)[nH]c1c2ccc2[nH]c3ccccc3c21.c1ccc2c(c1)[nH]c1ccc3c4ccccc4n(-c4ccc(-c5ccnc(-n6c7ccccc7c7ccc8[nH]c9ccccc9c8c76)c5)nc4)c3c12
• InChI: InChI=1S/C58H36N6.C46H28N6.C18H12N2.C10H6Cl2N2.C6H5Br/c1-3-15-38(16-4-1)61-50-25-13-9-21-45(50)55-52(61)31-28-43-41-19-7-11-23-48(41)63(57(43)55)40-27-30-47(60-36-40)37-33-34-59-54(35-37)64-49-24-12-8-20-42(49)44-29-32-53-56(58(44)64)46-22-10-14-26-51(46)62(53)39-17-5-2-6-18-39;1-5-13-36-33(11-1)43-38(49-36)21-18-31-29-9-3-7-15-40(29)51(45(31)43)28-17-20-35(48-26-28)27-23-24-47-42(25-27)52-41-16-8-4-10-30(41)32-19-22-39-44(46(32)52)34-12-2-6-14-37(34)50-39;1-3-7-14-11(5-1)12-9-10-16-17(18(12)20-14)13-6-2-4-8-15(13)19-16;11-8-1-2-9(14-6-8)7-3-4-13-10(12)5-7;7-6-4-2-1-3-5-6/h1-36H;1-26,49-50H;1-10,19-20H;1-6H;1-5H
• InChIKey: BDRPOMPHWHKLTP-UHFFFAOYSA-N
• XLogP: 36.99
• TPSA: 170.08 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2120.14
LogP ≤ 5	36.99
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bromobenzene;2-chloro-4-(5-chloro-2-pyridinyl)pyridine;5,12-dihydroindolo[3,2-c]carbazole;12-[4-[5-(5H-indolo[3,2-c]carbazol-12-yl)-2-pyridinyl]-2-pyridinyl]-5H-indolo[3,2-c]carbazole;5-phenyl-12-[4-[5-(5-phenylindolo[3,2-c]carbazol-12-yl)-2-pyridinyl]-2-pyridinyl]indolo[3,2-c]carbazole?

The IUPAC name of bromobenzene;2-chloro-4-(5-chloro-2-pyridinyl)pyridine;5,12-dihydroindolo[3,2-c]carbazole;12-[4-[5-(5H-indolo[3,2-c]carbazol-12-yl)-2-pyridinyl]-2-pyridinyl]-5H-indolo[3,2-c]carbazole;5-phenyl-12-[4-[5-(5-phenylindolo[3,2-c]carbazol-12-yl)-2-pyridinyl]-2-pyridinyl]indolo[3,2-c]carbazole (CID 157316808) is bromobenzene;2-chloro-4-(5-chloro-2-pyridinyl)pyridine;5,12-dihydroindolo[3,2-c]carbazole;12-[4-[5-(5H-indolo[3,2-c]carbazol-12-yl)-2-pyridinyl]-2-pyridinyl]-5H-indolo[3,2-c]carbazole;5-phenyl-12-[4-[5-(5-phenylindolo[3,2-c]carbazol-12-yl)-2-pyridinyl]-2-pyridinyl]indolo[3,2-c]carbazole.

What is the SMILES notation for bromobenzene;2-chloro-4-(5-chloro-2-pyridinyl)pyridine;5,12-dihydroindolo[3,2-c]carbazole;12-[4-[5-(5H-indolo[3,2-c]carbazol-12-yl)-2-pyridinyl]-2-pyridinyl]-5H-indolo[3,2-c]carbazole;5-phenyl-12-[4-[5-(5-phenylindolo[3,2-c]carbazol-12-yl)-2-pyridinyl]-2-pyridinyl]indolo[3,2-c]carbazole?

The canonical SMILES for bromobenzene;2-chloro-4-(5-chloro-2-pyridinyl)pyridine;5,12-dihydroindolo[3,2-c]carbazole;12-[4-[5-(5H-indolo[3,2-c]carbazol-12-yl)-2-pyridinyl]-2-pyridinyl]-5H-indolo[3,2-c]carbazole;5-phenyl-12-[4-[5-(5-phenylindolo[3,2-c]carbazol-12-yl)-2-pyridinyl]-2-pyridinyl]indolo[3,2-c]carbazole is Brc1ccccc1.Clc1ccc(-c2ccnc(Cl)c2)nc1.c1ccc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccc(-c5ccnc(-n6c7ccccc7c7ccc8c(c9ccccc9n8-c8ccccc8)c76)c5)nc4)c23)cc1.c1ccc2c(c1)[nH]c1c2ccc2[nH]c3ccccc3c21.c1ccc2c(c1)[nH]c1ccc3c4ccccc4n(-c4ccc(-c5ccnc(-n6c7ccccc7c7ccc8[nH]c9ccccc9c8c76)c5)nc4)c3c12.

What is the InChIKey of bromobenzene;2-chloro-4-(5-chloro-2-pyridinyl)pyridine;5,12-dihydroindolo[3,2-c]carbazole;12-[4-[5-(5H-indolo[3,2-c]carbazol-12-yl)-2-pyridinyl]-2-pyridinyl]-5H-indolo[3,2-c]carbazole;5-phenyl-12-[4-[5-(5-phenylindolo[3,2-c]carbazol-12-yl)-2-pyridinyl]-2-pyridinyl]indolo[3,2-c]carbazole?

The InChIKey is BDRPOMPHWHKLTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36N6.C46H28N6.C18H12N2.C10H6Cl2N2.C6H5Br/c1-3-15-38(16-4-1)61-50-25-13-9-21-45(50)55-52(61)31-28-43-41-19-7-11-23-48(41)63(57(43)55)40-27-30-47(60-36-40)37-33-34-59-54(35-37)64-49-24-12-8-20-42(49)44-29-32-53-56(58(44)64)46-22-10-14-26-51(46)62(53)39-17-5-2-6-18-39;1-5-13-36-33(11-1)43-38(49-36)21-18-31-29-9-3-7-15-40(29)51(45(31)43)28-17-20-35(48-26-28)27-23-24-47-42(25-27)52-41-16-8-4-10-30(41)32-19-22-39-44(46(32)52)34-12-2-6-14-37(34)50-39;1-3-7-14-11(5-1)12-9-10-16-17(18(12)20-14)13-6-2-4-8-15(13)19-16;11-8-1-2-9(14-6-8)7-3-4-13-10(12)5-7;7-6-4-2-1-3-5-6/h1-36H;1-26,49-50H;1-10,19-20H;1-6H;1-5H.

What are the key properties of bromobenzene;2-chloro-4-(5-chloro-2-pyridinyl)pyridine;5,12-dihydroindolo[3,2-c]carbazole;12-[4-[5-(5H-indolo[3,2-c]carbazol-12-yl)-2-pyridinyl]-2-pyridinyl]-5H-indolo[3,2-c]carbazole;5-phenyl-12-[4-[5-(5-phenylindolo[3,2-c]carbazol-12-yl)-2-pyridinyl]-2-pyridinyl]indolo[3,2-c]carbazole?

bromobenzene;2-chloro-4-(5-chloro-2-pyridinyl)pyridine;5,12-dihydroindolo[3,2-c]carbazole;12-[4-[5-(5H-indolo[3,2-c]carbazol-12-yl)-2-pyridinyl]-2-pyridinyl]-5H-indolo[3,2-c]carbazole;5-phenyl-12-[4-[5-(5-phenylindolo[3,2-c]carbazol-12-yl)-2-pyridinyl]-2-pyridinyl]indolo[3,2-c]carbazole has a molecular weight of 2120.14 g/mol, XLogP of 36.99, 9 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for bromobenzene;2-chloro-4-(5-chloro-2-pyridinyl)pyridine;5,12-dihydroindolo[3,2-c]carbazole;12-[4-[5-(5H-indolo[3,2-c]carbazol-12-yl)-2-pyridinyl]-2-pyridinyl]-5H-indolo[3,2-c]carbazole;5-phenyl-12-[4-[5-(5-phenylindolo[3,2-c]carbazol-12-yl)-2-pyridinyl]-2-pyridinyl]indolo[3,2-c]carbazole is sourced from PubChem (CID 157316808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).