4-(2,7-dibromocarbazol-9-yl)-2-[4-[4-[4-(2,7-dibromocarbazol-9-yl)-1,3-dioxoisoindol-2-yl]-2-methylphenyl]-3-methylphenyl]isoindole-1,3-dione

C54H30Br4N4O4 — CID 118972303

IUPAC4-(2,7-dibromocarbazol-9-yl)-2-[4-[4-[4-(2,7-dibromocarbazol-9-yl)-1,3-dioxoisoindol-2-yl]-2-methylphenyl]-3-methylphenyl]isoindole-1,3-dione
SMILESCc1cc(N2C(=O)c3cccc(-n4c5cc(Br)ccc5c5ccc(Br)cc54)c3C2=O)ccc1-c1ccc(N2C(=O)c3cccc(-n4c5cc(Br)ccc5c5ccc(Br)cc54)c3C2=O)cc1C
InChIInChI=1S/C54H30Br4N4O4/c1-27-21-33(59-51(63)41-5-3-7-43(49(41)53(59)65)61-45-23-29(55)9-15-37(45)38-16-10-30(56)24-46(38)61)13-19-35(27)36-20-14-34(22-28(36)2)60-52(64)42-6-4-8-44(50(42)54(60)66)62-47-25-31(57)11-17-39(47)40-18-12-32(58)26-48(40)62/h3-26H,1-2H3
InChIKeyZHVYYVOGJZQOPL-UHFFFAOYSA-N
MW1118.47 g/mol
LogP14.82
Rot. Bonds5

About 4-(2,7-dibromocarbazol-9-yl)-2-[4-[4-[4-(2,7-dibromocarbazol-9-yl)-1,3-dioxoisoindol-2-yl]-2-methylphenyl]-3-methylphenyl]isoindole-1,3-dione

4-(2,7-dibromocarbazol-9-yl)-2-[4-[4-[4-(2,7-dibromocarbazol-9-yl)-1,3-dioxoisoindol-2-yl]-2-methylphenyl]-3-methylphenyl]isoindole-1,3-dione (PubChem CID 118972303) has the molecular formula C54H30Br4N4O4 and a molecular weight of 1118.47 g/mol. Its IUPAC name is 4-(2,7-dibromocarbazol-9-yl)-2-[4-[4-[4-(2,7-dibromocarbazol-9-yl)-1,3-dioxoisoindol-2-yl]-2-methylphenyl]-3-methylphenyl]isoindole-1,3-dione.

Molecular Properties

Compound Name4-(2,7-dibromocarbazol-9-yl)-2-[4-[4-[4-(2,7-dibromocarbazol-9-yl)-1,3-dioxoisoindol-2-yl]-2-methylphenyl]-3-methylphenyl]isoindole-1,3-dione
PubChem CID118972303
Molecular FormulaC54H30Br4N4O4
Molecular Weight1118.47 g/mol
Exact Mass1113.90
IUPAC Name4-(2,7-dibromocarbazol-9-yl)-2-[4-[4-[4-(2,7-dibromocarbazol-9-yl)-1,3-dioxoisoindol-2-yl]-2-methylphenyl]-3-methylphenyl]isoindole-1,3-dione
SMILESCc1cc(N2C(=O)c3cccc(-n4c5cc(Br)ccc5c5ccc(Br)cc54)c3C2=O)ccc1-c1ccc(N2C(=O)c3cccc(-n4c5cc(Br)ccc5c5ccc(Br)cc54)c3C2=O)cc1C
InChIInChI=1S/C54H30Br4N4O4/c1-27-21-33(59-51(63)41-5-3-7-43(49(41)53(59)65)61-45-23-29(55)9-15-37(45)38-16-10-30(56)24-46(38)61)13-19-35(27)36-20-14-34(22-28(36)2)60-52(64)42-6-4-8-44(50(42)54(60)66)62-47-25-31(57)11-17-39(47)40-18-12-32(58)26-48(40)62/h3-26H,1-2H3
InChIKeyZHVYYVOGJZQOPL-UHFFFAOYSA-N
XLogP14.82
TPSA84.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001118.47
LogP ≤ 514.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2,7-dibromocarbazol-9-yl)-2-[4-[4-[4-(2,7-dibromocarbazol-9-yl)-1,3-dioxoisoindol-2-yl]-2-methylphenyl]-3-methylphenyl]isoindole-1,3-dione?
The IUPAC name of 4-(2,7-dibromocarbazol-9-yl)-2-[4-[4-[4-(2,7-dibromocarbazol-9-yl)-1,3-dioxoisoindol-2-yl]-2-methylphenyl]-3-methylphenyl]isoindole-1,3-dione (CID 118972303) is 4-(2,7-dibromocarbazol-9-yl)-2-[4-[4-[4-(2,7-dibromocarbazol-9-yl)-1,3-dioxoisoindol-2-yl]-2-methylphenyl]-3-methylphenyl]isoindole-1,3-dione.
What is the SMILES notation for 4-(2,7-dibromocarbazol-9-yl)-2-[4-[4-[4-(2,7-dibromocarbazol-9-yl)-1,3-dioxoisoindol-2-yl]-2-methylphenyl]-3-methylphenyl]isoindole-1,3-dione?
The canonical SMILES for 4-(2,7-dibromocarbazol-9-yl)-2-[4-[4-[4-(2,7-dibromocarbazol-9-yl)-1,3-dioxoisoindol-2-yl]-2-methylphenyl]-3-methylphenyl]isoindole-1,3-dione is Cc1cc(N2C(=O)c3cccc(-n4c5cc(Br)ccc5c5ccc(Br)cc54)c3C2=O)ccc1-c1ccc(N2C(=O)c3cccc(-n4c5cc(Br)ccc5c5ccc(Br)cc54)c3C2=O)cc1C.
What is the InChIKey of 4-(2,7-dibromocarbazol-9-yl)-2-[4-[4-[4-(2,7-dibromocarbazol-9-yl)-1,3-dioxoisoindol-2-yl]-2-methylphenyl]-3-methylphenyl]isoindole-1,3-dione?
The InChIKey is ZHVYYVOGJZQOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H30Br4N4O4/c1-27-21-33(59-51(63)41-5-3-7-43(49(41)53(59)65)61-45-23-29(55)9-15-37(45)38-16-10-30(56)24-46(38)61)13-19-35(27)36-20-14-34(22-28(36)2)60-52(64)42-6-4-8-44(50(42)54(60)66)62-47-25-31(57)11-17-39(47)40-18-12-32(58)26-48(40)62/h3-26H,1-2H3.
What are the key properties of 4-(2,7-dibromocarbazol-9-yl)-2-[4-[4-[4-(2,7-dibromocarbazol-9-yl)-1,3-dioxoisoindol-2-yl]-2-methylphenyl]-3-methylphenyl]isoindole-1,3-dione?
4-(2,7-dibromocarbazol-9-yl)-2-[4-[4-[4-(2,7-dibromocarbazol-9-yl)-1,3-dioxoisoindol-2-yl]-2-methylphenyl]-3-methylphenyl]isoindole-1,3-dione has a molecular weight of 1118.47 g/mol, XLogP of 14.82, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,7-dibromocarbazol-9-yl)-2-[4-[4-[4-(2,7-dibromocarbazol-9-yl)-1,3-dioxoisoindol-2-yl]-2-methylphenyl]-3-methylphenyl]isoindole-1,3-dione is sourced from PubChem (CID 118972303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).