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

C148H109BBr2N4O2 — CID 157482235

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

2,7-bis[4-[(E)-2-phenylethenyl]phenyl]-5,10-bis[2-(3-phenylphenyl)phenyl]indolo[3,2-b]indole;2,7-dibromo-5,10-bis[2-(3-phenylphenyl)phenyl]indolo[3,2-b]indole;4,4,5,5-tetramethyl-2-[4-[(E)-2-phenylethenyl]phenyl]-1,3,2-dioxaborolane (PubChem CID 157482235) has the molecular formula C148H109BBr2N4O2 and a molecular weight of 2146.15 g/mol. Its IUPAC name is 2,7-bis[4-[(E)-2-phenylethenyl]phenyl]-5,10-bis[2-(3-phenylphenyl)phenyl]indolo[3,2-b]indole;2,7-dibromo-5,10-bis[2-(3-phenylphenyl)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-bis[4-[(E)-2-phenylethenyl]phenyl]-5,10-bis[2-(3-phenylphenyl)phenyl]indolo[3,2-b]indole;2,7-dibromo-5,10-bis[2-(3-phenylphenyl)phenyl]indolo[3,2-b]indole;4,4,5,5-tetramethyl-2-[4-[(E)-2-phenylethenyl]phenyl]-1,3,2-dioxaborolane
• PubChem CID: 157482235
• Molecular Formula: C148H109BBr2N4O2
• Molecular Weight: 2146.15 g/mol
• Exact Mass: 2142.70
• IUPAC Name: 2,7-bis[4-[(E)-2-phenylethenyl]phenyl]-5,10-bis[2-(3-phenylphenyl)phenyl]indolo[3,2-b]indole;2,7-dibromo-5,10-bis[2-(3-phenylphenyl)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-c1cccc(-c3ccccc3)c1)c1c3ccc(Br)cc3n(-c3ccccc3-c3cccc(-c4ccccc4)c3)c21.C(=C/c1ccc(-c2ccc3c(c2)n(-c2ccccc2-c2cccc(-c4ccccc4)c2)c2c4ccc(-c5ccc(/C=C/c6ccccc6)cc5)cc4n(-c4ccccc4-c4cccc(-c5ccccc5)c4)c32)cc1)\c1ccccc1.CC1(C)OB(c2ccc(/C=C/c3ccccc3)cc2)OC1(C)C
• InChI: InChI=1S/C78H54N2.C50H32Br2N2.C20H23BO2/c1-5-19-55(20-6-1)35-37-57-39-43-61(44-40-57)65-47-49-71-75(53-65)79(73-33-15-13-31-69(73)67-29-17-27-63(51-67)59-23-9-3-10-24-59)78-72-50-48-66(62-45-41-58(42-46-62)38-36-56-21-7-2-8-22-56)54-76(72)80(77(71)78)74-34-16-14-32-70(74)68-30-18-28-64(52-68)60-25-11-4-12-26-60;51-39-25-27-43-47(31-39)53(45-23-9-7-21-41(45)37-19-11-17-35(29-37)33-13-3-1-4-14-33)49-44-28-26-40(52)32-48(44)54(50(43)49)46-24-10-8-22-42(46)38-20-12-18-36(30-38)34-15-5-2-6-16-34;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/h1-54H;1-32H;5-15H,1-4H3/b37-35+,38-36+;;11-10+
• InChIKey: BWHGHIHVDAHLME-RAEZUYIVSA-N
• XLogP: 40.15
• TPSA: 38.18 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 21
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2146.15
LogP ≤ 5	40.15
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-bis[4-[(E)-2-phenylethenyl]phenyl]-5,10-bis[2-(3-phenylphenyl)phenyl]indolo[3,2-b]indole;2,7-dibromo-5,10-bis[2-(3-phenylphenyl)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-bis[4-[(E)-2-phenylethenyl]phenyl]-5,10-bis[2-(3-phenylphenyl)phenyl]indolo[3,2-b]indole;2,7-dibromo-5,10-bis[2-(3-phenylphenyl)phenyl]indolo[3,2-b]indole;4,4,5,5-tetramethyl-2-[4-[(E)-2-phenylethenyl]phenyl]-1,3,2-dioxaborolane (CID 157482235) is 2,7-bis[4-[(E)-2-phenylethenyl]phenyl]-5,10-bis[2-(3-phenylphenyl)phenyl]indolo[3,2-b]indole;2,7-dibromo-5,10-bis[2-(3-phenylphenyl)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-bis[4-[(E)-2-phenylethenyl]phenyl]-5,10-bis[2-(3-phenylphenyl)phenyl]indolo[3,2-b]indole;2,7-dibromo-5,10-bis[2-(3-phenylphenyl)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-bis[4-[(E)-2-phenylethenyl]phenyl]-5,10-bis[2-(3-phenylphenyl)phenyl]indolo[3,2-b]indole;2,7-dibromo-5,10-bis[2-(3-phenylphenyl)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-c1cccc(-c3ccccc3)c1)c1c3ccc(Br)cc3n(-c3ccccc3-c3cccc(-c4ccccc4)c3)c21.C(=C/c1ccc(-c2ccc3c(c2)n(-c2ccccc2-c2cccc(-c4ccccc4)c2)c2c4ccc(-c5ccc(/C=C/c6ccccc6)cc5)cc4n(-c4ccccc4-c4cccc(-c5ccccc5)c4)c32)cc1)\c1ccccc1.CC1(C)OB(c2ccc(/C=C/c3ccccc3)cc2)OC1(C)C.

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

The InChIKey is BWHGHIHVDAHLME-RAEZUYIVSA-N. The full InChI is InChI=1S/C78H54N2.C50H32Br2N2.C20H23BO2/c1-5-19-55(20-6-1)35-37-57-39-43-61(44-40-57)65-47-49-71-75(53-65)79(73-33-15-13-31-69(73)67-29-17-27-63(51-67)59-23-9-3-10-24-59)78-72-50-48-66(62-45-41-58(42-46-62)38-36-56-21-7-2-8-22-56)54-76(72)80(77(71)78)74-34-16-14-32-70(74)68-30-18-28-64(52-68)60-25-11-4-12-26-60;51-39-25-27-43-47(31-39)53(45-23-9-7-21-41(45)37-19-11-17-35(29-37)33-13-3-1-4-14-33)49-44-28-26-40(52)32-48(44)54(50(43)49)46-24-10-8-22-42(46)38-20-12-18-36(30-38)34-15-5-2-6-16-34;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/h1-54H;1-32H;5-15H,1-4H3/b37-35+,38-36+;;11-10+.

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

2,7-bis[4-[(E)-2-phenylethenyl]phenyl]-5,10-bis[2-(3-phenylphenyl)phenyl]indolo[3,2-b]indole;2,7-dibromo-5,10-bis[2-(3-phenylphenyl)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 2146.15 g/mol, XLogP of 40.15, 21 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2,7-bis[4-[(E)-2-phenylethenyl]phenyl]-5,10-bis[2-(3-phenylphenyl)phenyl]indolo[3,2-b]indole;2,7-dibromo-5,10-bis[2-(3-phenylphenyl)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 157482235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).