5,10-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-b]indole;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-b]indole;2-isocyano-4,5-bis(5-phenylindolo[3,2-b]indol-10-yl)benzonitrile;phenyl-[4-(5-phenylindolo[3,2-b]indol-10-yl)phenyl]methanone

C178H113N21O — CID 159611851

About 5,10-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-b]indole;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-b]indole;2-isocyano-4,5-bis(5-phenylindolo[3,2-b]indol-10-yl)benzonitrile;phenyl-[4-(5-phenylindolo[3,2-b]indol-10-yl)phenyl]methanone

5,10-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-b]indole;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-b]indole;2-isocyano-4,5-bis(5-phenylindolo[3,2-b]indol-10-yl)benzonitrile;phenyl-[4-(5-phenylindolo[3,2-b]indol-10-yl)phenyl]methanone (PubChem CID 159611851) has the molecular formula C178H113N21O and a molecular weight of 2562.01 g/mol. Its IUPAC name is 5,10-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-b]indole;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-b]indole;2-isocyano-4,5-bis(5-phenylindolo[3,2-b]indol-10-yl)benzonitrile;phenyl-[4-(5-phenylindolo[3,2-b]indol-10-yl)phenyl]methanone.

Molecular Properties

• Compound Name: 5,10-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-b]indole;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-b]indole;2-isocyano-4,5-bis(5-phenylindolo[3,2-b]indol-10-yl)benzonitrile;phenyl-[4-(5-phenylindolo[3,2-b]indol-10-yl)phenyl]methanone
• PubChem CID: 159611851
• Molecular Formula: C178H113N21O
• Molecular Weight: 2562.01 g/mol
• Exact Mass: 2559.94
• IUPAC Name: 5,10-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-b]indole;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-b]indole;2-isocyano-4,5-bis(5-phenylindolo[3,2-b]indol-10-yl)benzonitrile;phenyl-[4-(5-phenylindolo[3,2-b]indol-10-yl)phenyl]methanone
• SMILES: O=C(c1ccccc1)c1ccc(-n2c3ccccc3c3c2c2ccccc2n3-c2ccccc2)cc1.[C-]#[N+]c1cc(-n2c3ccccc3c3c2c2ccccc2n3-c2ccccc2)c(-n2c3ccccc3c3c2c2ccccc2n3-c2ccccc2)cc1C#N.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c4c4ccccc4n5-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c4c4ccccc4n5-c4ccccc4)cc3)n2)cc1
• InChI: InChI=1S/C56H36N8.C48H28N6.C41H27N5.C33H22N2O/c1-5-17-37(18-6-1)51-57-52(38-19-7-2-8-20-38)60-55(59-51)41-29-33-43(34-30-41)63-47-27-15-13-25-45(47)50-49(63)46-26-14-16-28-48(46)64(50)44-35-31-42(32-36-44)56-61-53(39-21-9-3-10-22-39)58-54(62-56)40-23-11-4-12-24-40;1-50-38-29-44(54-42-27-15-11-23-37(42)46-48(54)35-21-9-13-25-40(35)52(46)33-18-6-3-7-19-33)43(28-31(38)30-49)53-41-26-14-10-22-36(41)45-47(53)34-20-8-12-24-39(34)51(45)32-16-4-2-5-17-32;1-4-14-28(15-5-1)39-42-40(29-16-6-2-7-17-29)44-41(43-39)30-24-26-32(27-25-30)46-36-23-13-11-21-34(36)37-38(46)33-20-10-12-22-35(33)45(37)31-18-8-3-9-19-31;36-33(23-11-3-1-4-12-23)24-19-21-26(22-20-24)35-30-18-10-8-16-28(30)31-32(35)27-15-7-9-17-29(27)34(31)25-13-5-2-6-14-25/h1-36H;2-29H;1-27H;1-22H
• InChIKey: MMUGJOLGRXXZRR-UHFFFAOYSA-N
• XLogP: 43.16
• TPSA: 210.53 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 21
• Heavy Atoms: 200
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2562.01
LogP ≤ 5	43.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5,10-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-b]indole;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-b]indole;2-isocyano-4,5-bis(5-phenylindolo[3,2-b]indol-10-yl)benzonitrile;phenyl-[4-(5-phenylindolo[3,2-b]indol-10-yl)phenyl]methanone?

The IUPAC name of 5,10-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-b]indole;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-b]indole;2-isocyano-4,5-bis(5-phenylindolo[3,2-b]indol-10-yl)benzonitrile;phenyl-[4-(5-phenylindolo[3,2-b]indol-10-yl)phenyl]methanone (CID 159611851) is 5,10-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-b]indole;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-b]indole;2-isocyano-4,5-bis(5-phenylindolo[3,2-b]indol-10-yl)benzonitrile;phenyl-[4-(5-phenylindolo[3,2-b]indol-10-yl)phenyl]methanone.

What is the SMILES notation for 5,10-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-b]indole;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-b]indole;2-isocyano-4,5-bis(5-phenylindolo[3,2-b]indol-10-yl)benzonitrile;phenyl-[4-(5-phenylindolo[3,2-b]indol-10-yl)phenyl]methanone?

The canonical SMILES for 5,10-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-b]indole;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-b]indole;2-isocyano-4,5-bis(5-phenylindolo[3,2-b]indol-10-yl)benzonitrile;phenyl-[4-(5-phenylindolo[3,2-b]indol-10-yl)phenyl]methanone is O=C(c1ccccc1)c1ccc(-n2c3ccccc3c3c2c2ccccc2n3-c2ccccc2)cc1.[C-]#[N+]c1cc(-n2c3ccccc3c3c2c2ccccc2n3-c2ccccc2)c(-n2c3ccccc3c3c2c2ccccc2n3-c2ccccc2)cc1C#N.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c4c4ccccc4n5-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c4c4ccccc4n5-c4ccccc4)cc3)n2)cc1.

What is the InChIKey of 5,10-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-b]indole;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-b]indole;2-isocyano-4,5-bis(5-phenylindolo[3,2-b]indol-10-yl)benzonitrile;phenyl-[4-(5-phenylindolo[3,2-b]indol-10-yl)phenyl]methanone?

The InChIKey is MMUGJOLGRXXZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N8.C48H28N6.C41H27N5.C33H22N2O/c1-5-17-37(18-6-1)51-57-52(38-19-7-2-8-20-38)60-55(59-51)41-29-33-43(34-30-41)63-47-27-15-13-25-45(47)50-49(63)46-26-14-16-28-48(46)64(50)44-35-31-42(32-36-44)56-61-53(39-21-9-3-10-22-39)58-54(62-56)40-23-11-4-12-24-40;1-50-38-29-44(54-42-27-15-11-23-37(42)46-48(54)35-21-9-13-25-40(35)52(46)33-18-6-3-7-19-33)43(28-31(38)30-49)53-41-26-14-10-22-36(41)45-47(53)34-20-8-12-24-39(34)51(45)32-16-4-2-5-17-32;1-4-14-28(15-5-1)39-42-40(29-16-6-2-7-17-29)44-41(43-39)30-24-26-32(27-25-30)46-36-23-13-11-21-34(36)37-38(46)33-20-10-12-22-35(33)45(37)31-18-8-3-9-19-31;36-33(23-11-3-1-4-12-23)24-19-21-26(22-20-24)35-30-18-10-8-16-28(30)31-32(35)27-15-7-9-17-29(27)34(31)25-13-5-2-6-14-25/h1-36H;2-29H;1-27H;1-22H.

What are the key properties of 5,10-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-b]indole;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-b]indole;2-isocyano-4,5-bis(5-phenylindolo[3,2-b]indol-10-yl)benzonitrile;phenyl-[4-(5-phenylindolo[3,2-b]indol-10-yl)phenyl]methanone?

5,10-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-b]indole;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-b]indole;2-isocyano-4,5-bis(5-phenylindolo[3,2-b]indol-10-yl)benzonitrile;phenyl-[4-(5-phenylindolo[3,2-b]indol-10-yl)phenyl]methanone has a molecular weight of 2562.01 g/mol, XLogP of 43.16, 21 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 5,10-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-b]indole;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-b]indole;2-isocyano-4,5-bis(5-phenylindolo[3,2-b]indol-10-yl)benzonitrile;phenyl-[4-(5-phenylindolo[3,2-b]indol-10-yl)phenyl]methanone is sourced from PubChem (CID 159611851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).