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

C70H38Br8N6O4 — CID 118972312

IUPAC2-[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
SMILESO=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
InChIInChI=1S/C70H38Br8N6O4/c71-33-1-13-51-43(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/h1-8,13-32,41-42H,9-12H2
InChIKeyVQWQXWOBDDRNGI-UHFFFAOYSA-N
MW1666.34 g/mol
LogP21.38
Rot. Bonds6

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-dibromocarbazol-9-yl)-1,3-dioxoisoindol-2-yl]cyclohexyl]-4,7-bis(3,6-dibromocarbazol-9-yl)isoindole-1,3-dione (PubChem CID 118972312) has the molecular formula C70H38Br8N6O4 and a molecular weight of 1666.34 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.

Molecular Properties

Compound Name2-[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
PubChem CID118972312
Molecular FormulaC70H38Br8N6O4
Molecular Weight1666.34 g/mol
Exact Mass1657.64
IUPAC Name2-[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
SMILESO=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
InChIInChI=1S/C70H38Br8N6O4/c71-33-1-13-51-43(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/h1-8,13-32,41-42H,9-12H2
InChIKeyVQWQXWOBDDRNGI-UHFFFAOYSA-N
XLogP21.38
TPSA94.48 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001666.34
LogP ≤ 521.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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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?
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 (CID 118972312) 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.
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?
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 is 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?
The InChIKey is VQWQXWOBDDRNGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H38Br8N6O4/c71-33-1-13-51-43(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/h1-8,13-32,41-42H,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-dibromocarbazol-9-yl)-1,3-dioxoisoindol-2-yl]cyclohexyl]-4,7-bis(3,6-dibromocarbazol-9-yl)isoindole-1,3-dione has a molecular weight of 1666.34 g/mol, XLogP of 21.38, 6 rotatable bonds, 0 hydrogen bond donors, and 8 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 is sourced from PubChem (CID 118972312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).