2-[4-[4,7-bis(3,6-dibromocarbazol-9-yl)-1,3-dioxoisoindol-2-yl]cyclohexyl]-4,7-bis(3,6-dibromocarbazol-9-yl)isoindole-1,3-dione;2-[4-[4,7-bis(3,6-dimethylcarbazol-9-yl)-1,3-dioxoisoindol-2-yl]phenyl]-4,7-bis(3,6-dimethylcarbazol-9-yl)isoindole-1,3-dione

C148H94Br8N12O8 — CID 160691918

About 2-[4-[4,7-bis(3,6-dibromocarbazol-9-yl)-1,3-dioxoisoindol-2-yl]cyclohexyl]-4,7-bis(3,6-dibromocarbazol-9-yl)isoindole-1,3-dione;2-[4-[4,7-bis(3,6-dimethylcarbazol-9-yl)-1,3-dioxoisoindol-2-yl]phenyl]-4,7-bis(3,6-dimethylcarbazol-9-yl)isoindole-1,3-dione

2-[4-[4,7-bis(3,6-dibromocarbazol-9-yl)-1,3-dioxoisoindol-2-yl]cyclohexyl]-4,7-bis(3,6-dibromocarbazol-9-yl)isoindole-1,3-dione;2-[4-[4,7-bis(3,6-dimethylcarbazol-9-yl)-1,3-dioxoisoindol-2-yl]phenyl]-4,7-bis(3,6-dimethylcarbazol-9-yl)isoindole-1,3-dione (PubChem CID 160691918) has the molecular formula C148H94Br8N12O8 and a molecular weight of 2807.69 g/mol. Its IUPAC name is 2-[4-[4,7-bis(3,6-dibromocarbazol-9-yl)-1,3-dioxoisoindol-2-yl]cyclohexyl]-4,7-bis(3,6-dibromocarbazol-9-yl)isoindole-1,3-dione;2-[4-[4,7-bis(3,6-dimethylcarbazol-9-yl)-1,3-dioxoisoindol-2-yl]phenyl]-4,7-bis(3,6-dimethylcarbazol-9-yl)isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-[4-[4,7-bis(3,6-dibromocarbazol-9-yl)-1,3-dioxoisoindol-2-yl]cyclohexyl]-4,7-bis(3,6-dibromocarbazol-9-yl)isoindole-1,3-dione;2-[4-[4,7-bis(3,6-dimethylcarbazol-9-yl)-1,3-dioxoisoindol-2-yl]phenyl]-4,7-bis(3,6-dimethylcarbazol-9-yl)isoindole-1,3-dione
• PubChem CID: 160691918
• Molecular Formula: C148H94Br8N12O8
• Molecular Weight: 2807.69 g/mol
• Exact Mass: 2798.08
• IUPAC Name: 2-[4-[4,7-bis(3,6-dibromocarbazol-9-yl)-1,3-dioxoisoindol-2-yl]cyclohexyl]-4,7-bis(3,6-dibromocarbazol-9-yl)isoindole-1,3-dione;2-[4-[4,7-bis(3,6-dimethylcarbazol-9-yl)-1,3-dioxoisoindol-2-yl]phenyl]-4,7-bis(3,6-dimethylcarbazol-9-yl)isoindole-1,3-dione
• SMILES: Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(-n2c3ccc(C)cc3c3cc(C)ccc32)c2c1C(=O)N(c1ccc(N3C(=O)c4c(-n5c6ccc(C)cc6c6cc(C)ccc65)ccc(-n5c6ccc(C)cc6c6cc(C)ccc65)c4C3=O)cc1)C2=O.O=C1c2c(-n3c4ccc(Br)cc4c4cc(Br)ccc43)ccc(-n3c4ccc(Br)cc4c4cc(Br)ccc43)c2C(=O)N1C1CCC(N2C(=O)c3c(-n4c5ccc(Br)cc5c5cc(Br)ccc54)ccc(-n4c5ccc(Br)cc5c5cc(Br)ccc54)c3C2=O)CC1
• InChI: InChI=1S/C78H56N6O4.C70H38Br8N6O4/c1-41-9-21-59-51(33-41)52-34-42(2)10-22-60(52)81(59)67-29-30-68(82-61-23-11-43(3)35-53(61)54-36-44(4)12-24-62(54)82)72-71(67)75(85)79(76(72)86)49-17-19-50(20-18-49)80-77(87)73-69(83-63-25-13-45(5)37-55(63)56-38-46(6)14-26-64(56)83)31-32-70(74(73)78(80)88)84-65-27-15-47(7)39-57(65)58-40-48(8)16-28-66(58)84;71-33-1-13-51-43(25-33)44-26-34(72)2-14-52(44)81(51)59-21-22-60(82-53-15-3-35(73)27-45(53)46-28-36(74)4-16-54(46)82)64-63(59)67(85)79(68(64)86)41-9-11-42(12-10-41)80-69(87)65-61(83-55-17-5-37(75)29-47(55)48-30-38(76)6-18-56(48)83)23-24-62(66(65)70(80)88)84-57-19-7-39(77)31-49(57)50-32-40(78)8-20-58(50)84/h9-40H,1-8H3;1-8,13-32,41-42H,9-12H2
• InChIKey: RPMZTNNNTWAFHM-UHFFFAOYSA-N
• XLogP: 39.52
• TPSA: 188.96 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 12
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2807.69
LogP ≤ 5	39.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4,7-bis(3,6-dibromocarbazol-9-yl)-1,3-dioxoisoindol-2-yl]cyclohexyl]-4,7-bis(3,6-dibromocarbazol-9-yl)isoindole-1,3-dione;2-[4-[4,7-bis(3,6-dimethylcarbazol-9-yl)-1,3-dioxoisoindol-2-yl]phenyl]-4,7-bis(3,6-dimethylcarbazol-9-yl)isoindole-1,3-dione?

The IUPAC name of 2-[4-[4,7-bis(3,6-dibromocarbazol-9-yl)-1,3-dioxoisoindol-2-yl]cyclohexyl]-4,7-bis(3,6-dibromocarbazol-9-yl)isoindole-1,3-dione;2-[4-[4,7-bis(3,6-dimethylcarbazol-9-yl)-1,3-dioxoisoindol-2-yl]phenyl]-4,7-bis(3,6-dimethylcarbazol-9-yl)isoindole-1,3-dione (CID 160691918) is 2-[4-[4,7-bis(3,6-dibromocarbazol-9-yl)-1,3-dioxoisoindol-2-yl]cyclohexyl]-4,7-bis(3,6-dibromocarbazol-9-yl)isoindole-1,3-dione;2-[4-[4,7-bis(3,6-dimethylcarbazol-9-yl)-1,3-dioxoisoindol-2-yl]phenyl]-4,7-bis(3,6-dimethylcarbazol-9-yl)isoindole-1,3-dione.

What is the SMILES notation for 2-[4-[4,7-bis(3,6-dibromocarbazol-9-yl)-1,3-dioxoisoindol-2-yl]cyclohexyl]-4,7-bis(3,6-dibromocarbazol-9-yl)isoindole-1,3-dione;2-[4-[4,7-bis(3,6-dimethylcarbazol-9-yl)-1,3-dioxoisoindol-2-yl]phenyl]-4,7-bis(3,6-dimethylcarbazol-9-yl)isoindole-1,3-dione?

The canonical SMILES for 2-[4-[4,7-bis(3,6-dibromocarbazol-9-yl)-1,3-dioxoisoindol-2-yl]cyclohexyl]-4,7-bis(3,6-dibromocarbazol-9-yl)isoindole-1,3-dione;2-[4-[4,7-bis(3,6-dimethylcarbazol-9-yl)-1,3-dioxoisoindol-2-yl]phenyl]-4,7-bis(3,6-dimethylcarbazol-9-yl)isoindole-1,3-dione is Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(-n2c3ccc(C)cc3c3cc(C)ccc32)c2c1C(=O)N(c1ccc(N3C(=O)c4c(-n5c6ccc(C)cc6c6cc(C)ccc65)ccc(-n5c6ccc(C)cc6c6cc(C)ccc65)c4C3=O)cc1)C2=O.O=C1c2c(-n3c4ccc(Br)cc4c4cc(Br)ccc43)ccc(-n3c4ccc(Br)cc4c4cc(Br)ccc43)c2C(=O)N1C1CCC(N2C(=O)c3c(-n4c5ccc(Br)cc5c5cc(Br)ccc54)ccc(-n4c5ccc(Br)cc5c5cc(Br)ccc54)c3C2=O)CC1.

What is the InChIKey of 2-[4-[4,7-bis(3,6-dibromocarbazol-9-yl)-1,3-dioxoisoindol-2-yl]cyclohexyl]-4,7-bis(3,6-dibromocarbazol-9-yl)isoindole-1,3-dione;2-[4-[4,7-bis(3,6-dimethylcarbazol-9-yl)-1,3-dioxoisoindol-2-yl]phenyl]-4,7-bis(3,6-dimethylcarbazol-9-yl)isoindole-1,3-dione?

The InChIKey is RPMZTNNNTWAFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H56N6O4.C70H38Br8N6O4/c1-41-9-21-59-51(33-41)52-34-42(2)10-22-60(52)81(59)67-29-30-68(82-61-23-11-43(3)35-53(61)54-36-44(4)12-24-62(54)82)72-71(67)75(85)79(76(72)86)49-17-19-50(20-18-49)80-77(87)73-69(83-63-25-13-45(5)37-55(63)56-38-46(6)14-26-64(56)83)31-32-70(74(73)78(80)88)84-65-27-15-47(7)39-57(65)58-40-48(8)16-28-66(58)84;71-33-1-13-51-43(25-33)44-26-34(72)2-14-52(44)81(51)59-21-22-60(82-53-15-3-35(73)27-45(53)46-28-36(74)4-16-54(46)82)64-63(59)67(85)79(68(64)86)41-9-11-42(12-10-41)80-69(87)65-61(83-55-17-5-37(75)29-47(55)48-30-38(76)6-18-56(48)83)23-24-62(66(65)70(80)88)84-57-19-7-39(77)31-49(57)50-32-40(78)8-20-58(50)84/h9-40H,1-8H3;1-8,13-32,41-42H,9-12H2.

What are the key properties of 2-[4-[4,7-bis(3,6-dibromocarbazol-9-yl)-1,3-dioxoisoindol-2-yl]cyclohexyl]-4,7-bis(3,6-dibromocarbazol-9-yl)isoindole-1,3-dione;2-[4-[4,7-bis(3,6-dimethylcarbazol-9-yl)-1,3-dioxoisoindol-2-yl]phenyl]-4,7-bis(3,6-dimethylcarbazol-9-yl)isoindole-1,3-dione?

2-[4-[4,7-bis(3,6-dibromocarbazol-9-yl)-1,3-dioxoisoindol-2-yl]cyclohexyl]-4,7-bis(3,6-dibromocarbazol-9-yl)isoindole-1,3-dione;2-[4-[4,7-bis(3,6-dimethylcarbazol-9-yl)-1,3-dioxoisoindol-2-yl]phenyl]-4,7-bis(3,6-dimethylcarbazol-9-yl)isoindole-1,3-dione has a molecular weight of 2807.69 g/mol, XLogP of 39.52, 12 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[4,7-bis(3,6-dibromocarbazol-9-yl)-1,3-dioxoisoindol-2-yl]cyclohexyl]-4,7-bis(3,6-dibromocarbazol-9-yl)isoindole-1,3-dione;2-[4-[4,7-bis(3,6-dimethylcarbazol-9-yl)-1,3-dioxoisoindol-2-yl]phenyl]-4,7-bis(3,6-dimethylcarbazol-9-yl)isoindole-1,3-dione is sourced from PubChem (CID 160691918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).