2,7-dibromo-5,10-diphenylindolo[3,2-b]indole;5,10-diphenyl-2,7-bis[4-[(E)-2-phenylethenyl]phenyl]indolo[3,2-b]indole;4,4,5,5-tetramethyl-2-[4-[(E)-2-phenylethenyl]phenyl]-1,3,2-dioxaborolane

C100H77BBr2N4O2 — CID 158740081

About 2,7-dibromo-5,10-diphenylindolo[3,2-b]indole;5,10-diphenyl-2,7-bis[4-[(E)-2-phenylethenyl]phenyl]indolo[3,2-b]indole;4,4,5,5-tetramethyl-2-[4-[(E)-2-phenylethenyl]phenyl]-1,3,2-dioxaborolane

2,7-dibromo-5,10-diphenylindolo[3,2-b]indole;5,10-diphenyl-2,7-bis[4-[(E)-2-phenylethenyl]phenyl]indolo[3,2-b]indole;4,4,5,5-tetramethyl-2-[4-[(E)-2-phenylethenyl]phenyl]-1,3,2-dioxaborolane (PubChem CID 158740081) has the molecular formula C100H77BBr2N4O2 and a molecular weight of 1537.36 g/mol. Its IUPAC name is 2,7-dibromo-5,10-diphenylindolo[3,2-b]indole;5,10-diphenyl-2,7-bis[4-[(E)-2-phenylethenyl]phenyl]indolo[3,2-b]indole;4,4,5,5-tetramethyl-2-[4-[(E)-2-phenylethenyl]phenyl]-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 2,7-dibromo-5,10-diphenylindolo[3,2-b]indole;5,10-diphenyl-2,7-bis[4-[(E)-2-phenylethenyl]phenyl]indolo[3,2-b]indole;4,4,5,5-tetramethyl-2-[4-[(E)-2-phenylethenyl]phenyl]-1,3,2-dioxaborolane
• PubChem CID: 158740081
• Molecular Formula: C100H77BBr2N4O2
• Molecular Weight: 1537.36 g/mol
• Exact Mass: 1534.45
• IUPAC Name: 2,7-dibromo-5,10-diphenylindolo[3,2-b]indole;5,10-diphenyl-2,7-bis[4-[(E)-2-phenylethenyl]phenyl]indolo[3,2-b]indole;4,4,5,5-tetramethyl-2-[4-[(E)-2-phenylethenyl]phenyl]-1,3,2-dioxaborolane
• SMILES: Brc1ccc2c(c1)n(-c1ccccc1)c1c3ccc(Br)cc3n(-c3ccccc3)c21.C(=C/c1ccc(-c2ccc3c(c2)n(-c2ccccc2)c2c4ccc(-c5ccc(/C=C/c6ccccc6)cc5)cc4n(-c4ccccc4)c32)cc1)\c1ccccc1.CC1(C)OB(c2ccc(/C=C/c3ccccc3)cc2)OC1(C)C
• InChI: InChI=1S/C54H38N2.C26H16Br2N2.C20H23BO2/c1-5-13-39(14-6-1)21-23-41-25-29-43(30-26-41)45-33-35-49-51(37-45)55(47-17-9-3-10-18-47)54-50-36-34-46(38-52(50)56(53(49)54)48-19-11-4-12-20-48)44-31-27-42(28-32-44)24-22-40-15-7-2-8-16-40;27-17-11-13-21-23(15-17)29(19-7-3-1-4-8-19)25-22-14-12-18(28)16-24(22)30(26(21)25)20-9-5-2-6-10-20;1-19(2)20(3,4)23-21(22-19)18-14-12-17(13-15-18)11-10-16-8-6-5-7-9-16/h1-38H;1-16H;5-15H,1-4H3/b23-21+,24-22+;;11-10+
• InChIKey: IMEJKRYIGGLFMY-ZFZWRPMZSA-N
• XLogP: 26.81
• TPSA: 38.18 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 13
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1537.36
LogP ≤ 5	26.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,7-dibromo-5,10-diphenylindolo[3,2-b]indole;5,10-diphenyl-2,7-bis[4-[(E)-2-phenylethenyl]phenyl]indolo[3,2-b]indole;4,4,5,5-tetramethyl-2-[4-[(E)-2-phenylethenyl]phenyl]-1,3,2-dioxaborolane?

The IUPAC name of 2,7-dibromo-5,10-diphenylindolo[3,2-b]indole;5,10-diphenyl-2,7-bis[4-[(E)-2-phenylethenyl]phenyl]indolo[3,2-b]indole;4,4,5,5-tetramethyl-2-[4-[(E)-2-phenylethenyl]phenyl]-1,3,2-dioxaborolane (CID 158740081) is 2,7-dibromo-5,10-diphenylindolo[3,2-b]indole;5,10-diphenyl-2,7-bis[4-[(E)-2-phenylethenyl]phenyl]indolo[3,2-b]indole;4,4,5,5-tetramethyl-2-[4-[(E)-2-phenylethenyl]phenyl]-1,3,2-dioxaborolane.

What is the SMILES notation for 2,7-dibromo-5,10-diphenylindolo[3,2-b]indole;5,10-diphenyl-2,7-bis[4-[(E)-2-phenylethenyl]phenyl]indolo[3,2-b]indole;4,4,5,5-tetramethyl-2-[4-[(E)-2-phenylethenyl]phenyl]-1,3,2-dioxaborolane?

The canonical SMILES for 2,7-dibromo-5,10-diphenylindolo[3,2-b]indole;5,10-diphenyl-2,7-bis[4-[(E)-2-phenylethenyl]phenyl]indolo[3,2-b]indole;4,4,5,5-tetramethyl-2-[4-[(E)-2-phenylethenyl]phenyl]-1,3,2-dioxaborolane is Brc1ccc2c(c1)n(-c1ccccc1)c1c3ccc(Br)cc3n(-c3ccccc3)c21.C(=C/c1ccc(-c2ccc3c(c2)n(-c2ccccc2)c2c4ccc(-c5ccc(/C=C/c6ccccc6)cc5)cc4n(-c4ccccc4)c32)cc1)\c1ccccc1.CC1(C)OB(c2ccc(/C=C/c3ccccc3)cc2)OC1(C)C.

What is the InChIKey of 2,7-dibromo-5,10-diphenylindolo[3,2-b]indole;5,10-diphenyl-2,7-bis[4-[(E)-2-phenylethenyl]phenyl]indolo[3,2-b]indole;4,4,5,5-tetramethyl-2-[4-[(E)-2-phenylethenyl]phenyl]-1,3,2-dioxaborolane?

The InChIKey is IMEJKRYIGGLFMY-ZFZWRPMZSA-N. The full InChI is InChI=1S/C54H38N2.C26H16Br2N2.C20H23BO2/c1-5-13-39(14-6-1)21-23-41-25-29-43(30-26-41)45-33-35-49-51(37-45)55(47-17-9-3-10-18-47)54-50-36-34-46(38-52(50)56(53(49)54)48-19-11-4-12-20-48)44-31-27-42(28-32-44)24-22-40-15-7-2-8-16-40;27-17-11-13-21-23(15-17)29(19-7-3-1-4-8-19)25-22-14-12-18(28)16-24(22)30(26(21)25)20-9-5-2-6-10-20;1-19(2)20(3,4)23-21(22-19)18-14-12-17(13-15-18)11-10-16-8-6-5-7-9-16/h1-38H;1-16H;5-15H,1-4H3/b23-21+,24-22+;;11-10+.

What are the key properties of 2,7-dibromo-5,10-diphenylindolo[3,2-b]indole;5,10-diphenyl-2,7-bis[4-[(E)-2-phenylethenyl]phenyl]indolo[3,2-b]indole;4,4,5,5-tetramethyl-2-[4-[(E)-2-phenylethenyl]phenyl]-1,3,2-dioxaborolane?

2,7-dibromo-5,10-diphenylindolo[3,2-b]indole;5,10-diphenyl-2,7-bis[4-[(E)-2-phenylethenyl]phenyl]indolo[3,2-b]indole;4,4,5,5-tetramethyl-2-[4-[(E)-2-phenylethenyl]phenyl]-1,3,2-dioxaborolane has a molecular weight of 1537.36 g/mol, XLogP of 26.81, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2,7-dibromo-5,10-diphenylindolo[3,2-b]indole;5,10-diphenyl-2,7-bis[4-[(E)-2-phenylethenyl]phenyl]indolo[3,2-b]indole;4,4,5,5-tetramethyl-2-[4-[(E)-2-phenylethenyl]phenyl]-1,3,2-dioxaborolane is sourced from PubChem (CID 158740081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).