7-benzoyl-5-[2,8-bis(2,6-dimethylphenyl)-10-phenylphenazin-5-yl]-1,1,3,3-tetrafluoro-6-(3-phenylcarbazol-9-yl)-2H-indene-4-carbonitrile;5,6-bis[2,8-bis(2,6-dimethylphenyl)-10-phenylphenazin-5-yl]-1,1,3,3-tetrafluoro-7-nitro-2H-indene-4-carbonitrile;5',6'-bis(10,10-dimethyl-8-phenylbenzo[b][1,5]naphthyridin-5-yl)-7'-isocyano-1',1',3',3'-tetramethylspiro[fluorene-9,2'-indene]-4'-carbonitrile

C214H162F8N16O3 — CID 158184769

IUPAC7-benzoyl-5-[2,8-bis(2,6-dimethylphenyl)-10-phenylphenazin-5-yl]-1,1,3,3-tetrafluoro-6-(3-phenylcarbazol-9-yl)-2H-indene-4-carbonitrile;5,6-bis[2,8-bis(2,6-dimethylphenyl)-10-phenylphenazin-5-yl]-1,1,3,3-tetrafluoro-7-nitro-2H-indene-4-carbonitrile;5',6'-bis(10,10-dimethyl-8-phenylbenzo[b][1,5]naphthyridin-5-yl)-7'-isocyano-1',1',3',3'-tetramethylspiro[fluorene-9,2'-indene]-4'-carbonitrile
SMILESCc1cccc(C)c1-c1ccc2c(c1)N(c1ccccc1)c1cc(-c3c(C)cccc3C)ccc1N2c1c(C#N)c2c(c(C(=O)c3ccccc3)c1-n1c3ccccc3c3cc(-c4ccccc4)ccc31)C(F)(F)CC2(F)F.Cc1cccc(C)c1-c1ccc2c(c1)N(c1ccccc1)c1cc(-c3c(C)cccc3C)ccc1N2c1c(C#N)c2c(c([N+](=O)[O-])c1N1c3ccc(-c4c(C)cccc4C)cc3N(c3ccccc3)c3cc(-c4c(C)cccc4C)ccc31)C(F)(F)CC2(F)F.[C-]#[N+]c1c(N2c3ccc(-c4ccccc4)cc3C(C)(C)c3ncccc32)c(N2c3ccc(-c4ccccc4)cc3C(C)(C)c3ncccc32)c(C#N)c2c1C(C)(C)C1(c3ccccc3-c3ccccc31)C2(C)C
InChIInChI=1S/C78H60F4N6O2.C69H48F4N4O.C67H54N6/c1-45-19-15-20-46(2)68(45)53-31-35-60-64(39-53)84(57-27-11-9-12-28-57)65-40-54(69-47(3)21-16-22-48(69)4)32-36-61(65)86(60)74-59(43-83)72-73(78(81,82)44-77(72,79)80)75(88(89)90)76(74)87-62-37-33-55(70-49(5)23-17-24-50(70)6)41-66(62)85(58-29-13-10-14-30-58)67-42-56(34-38-63(67)87)71-51(7)25-18-26-52(71)8;1-41-18-16-19-42(2)60(41)48-31-34-56-58(37-48)75(50-26-12-7-13-27-50)59-38-49(61-43(3)20-17-21-44(61)4)32-35-57(59)77(56)65-53(39-74)63-64(69(72,73)40-68(63,70)71)62(67(78)46-24-10-6-11-25-46)66(65)76-54-29-15-14-28-51(54)52-36-47(30-33-55(52)76)45-22-8-5-9-23-45;1-63(2)50-38-43(41-22-12-10-13-23-41)32-34-52(50)72(54-30-20-36-70-61(54)63)59-47(40-68)56-57(66(7,8)67(65(56,5)6)48-28-18-16-26-45(48)46-27-17-19-29-49(46)67)58(69-9)60(59)73-53-35-33-44(42-24-14-11-15-25-42)39-51(53)64(3,4)62-55(73)31-21-37-71-62/h9-42H,44H2,1-8H3;5-38H,40H2,1-4H3;10-39H,1-8H3
InChIKeyFYZZCMOKZWBGCA-UHFFFAOYSA-N
MW3157.74 g/mol
LogP58.64
Rot. Bonds21

About 7-benzoyl-5-[2,8-bis(2,6-dimethylphenyl)-10-phenylphenazin-5-yl]-1,1,3,3-tetrafluoro-6-(3-phenylcarbazol-9-yl)-2H-indene-4-carbonitrile;5,6-bis[2,8-bis(2,6-dimethylphenyl)-10-phenylphenazin-5-yl]-1,1,3,3-tetrafluoro-7-nitro-2H-indene-4-carbonitrile;5',6'-bis(10,10-dimethyl-8-phenylbenzo[b][1,5]naphthyridin-5-yl)-7'-isocyano-1',1',3',3'-tetramethylspiro[fluorene-9,2'-indene]-4'-carbonitrile

7-benzoyl-5-[2,8-bis(2,6-dimethylphenyl)-10-phenylphenazin-5-yl]-1,1,3,3-tetrafluoro-6-(3-phenylcarbazol-9-yl)-2H-indene-4-carbonitrile;5,6-bis[2,8-bis(2,6-dimethylphenyl)-10-phenylphenazin-5-yl]-1,1,3,3-tetrafluoro-7-nitro-2H-indene-4-carbonitrile;5',6'-bis(10,10-dimethyl-8-phenylbenzo[b][1,5]naphthyridin-5-yl)-7'-isocyano-1',1',3',3'-tetramethylspiro[fluorene-9,2'-indene]-4'-carbonitrile (PubChem CID 158184769) has the molecular formula C214H162F8N16O3 and a molecular weight of 3157.74 g/mol. Its IUPAC name is 7-benzoyl-5-[2,8-bis(2,6-dimethylphenyl)-10-phenylphenazin-5-yl]-1,1,3,3-tetrafluoro-6-(3-phenylcarbazol-9-yl)-2H-indene-4-carbonitrile;5,6-bis[2,8-bis(2,6-dimethylphenyl)-10-phenylphenazin-5-yl]-1,1,3,3-tetrafluoro-7-nitro-2H-indene-4-carbonitrile;5',6'-bis(10,10-dimethyl-8-phenylbenzo[b][1,5]naphthyridin-5-yl)-7'-isocyano-1',1',3',3'-tetramethylspiro[fluorene-9,2'-indene]-4'-carbonitrile.

Molecular Properties

Compound Name7-benzoyl-5-[2,8-bis(2,6-dimethylphenyl)-10-phenylphenazin-5-yl]-1,1,3,3-tetrafluoro-6-(3-phenylcarbazol-9-yl)-2H-indene-4-carbonitrile;5,6-bis[2,8-bis(2,6-dimethylphenyl)-10-phenylphenazin-5-yl]-1,1,3,3-tetrafluoro-7-nitro-2H-indene-4-carbonitrile;5',6'-bis(10,10-dimethyl-8-phenylbenzo[b][1,5]naphthyridin-5-yl)-7'-isocyano-1',1',3',3'-tetramethylspiro[fluorene-9,2'-indene]-4'-carbonitrile
PubChem CID158184769
Molecular FormulaC214H162F8N16O3
Molecular Weight3157.74 g/mol
Exact Mass3155.29
IUPAC Name7-benzoyl-5-[2,8-bis(2,6-dimethylphenyl)-10-phenylphenazin-5-yl]-1,1,3,3-tetrafluoro-6-(3-phenylcarbazol-9-yl)-2H-indene-4-carbonitrile;5,6-bis[2,8-bis(2,6-dimethylphenyl)-10-phenylphenazin-5-yl]-1,1,3,3-tetrafluoro-7-nitro-2H-indene-4-carbonitrile;5',6'-bis(10,10-dimethyl-8-phenylbenzo[b][1,5]naphthyridin-5-yl)-7'-isocyano-1',1',3',3'-tetramethylspiro[fluorene-9,2'-indene]-4'-carbonitrile
SMILESCc1cccc(C)c1-c1ccc2c(c1)N(c1ccccc1)c1cc(-c3c(C)cccc3C)ccc1N2c1c(C#N)c2c(c(C(=O)c3ccccc3)c1-n1c3ccccc3c3cc(-c4ccccc4)ccc31)C(F)(F)CC2(F)F.Cc1cccc(C)c1-c1ccc2c(c1)N(c1ccccc1)c1cc(-c3c(C)cccc3C)ccc1N2c1c(C#N)c2c(c([N+](=O)[O-])c1N1c3ccc(-c4c(C)cccc4C)cc3N(c3ccccc3)c3cc(-c4c(C)cccc4C)ccc31)C(F)(F)CC2(F)F.[C-]#[N+]c1c(N2c3ccc(-c4ccccc4)cc3C(C)(C)c3ncccc32)c(N2c3ccc(-c4ccccc4)cc3C(C)(C)c3ncccc32)c(C#N)c2c1C(C)(C)C1(c3ccccc3-c3ccccc31)C2(C)C
InChIInChI=1S/C78H60F4N6O2.C69H48F4N4O.C67H54N6/c1-45-19-15-20-46(2)68(45)53-31-35-60-64(39-53)84(57-27-11-9-12-28-57)65-40-54(69-47(3)21-16-22-48(69)4)32-36-61(65)86(60)74-59(43-83)72-73(78(81,82)44-77(72,79)80)75(88(89)90)76(74)87-62-37-33-55(70-49(5)23-17-24-50(70)6)41-66(62)85(58-29-13-10-14-30-58)67-42-56(34-38-63(67)87)71-51(7)25-18-26-52(71)8;1-41-18-16-19-42(2)60(41)48-31-34-56-58(37-48)75(50-26-12-7-13-27-50)59-38-49(61-43(3)20-17-21-44(61)4)32-35-57(59)77(56)65-53(39-74)63-64(69(72,73)40-68(63,70)71)62(67(78)46-24-10-6-11-25-46)66(65)76-54-29-15-14-28-51(54)52-36-47(30-33-55(52)76)45-22-8-5-9-23-45;1-63(2)50-38-43(41-22-12-10-13-23-41)32-34-52(50)72(54-30-20-36-70-61(54)63)59-47(40-68)56-57(66(7,8)67(65(56,5)6)48-28-18-16-26-45(48)46-27-17-19-29-49(46)67)58(69-9)60(59)73-53-35-33-44(42-24-14-11-15-25-42)39-51(53)64(3,4)62-55(73)31-21-37-71-62/h9-42H,44H2,1-8H3;5-38H,40H2,1-4H3;10-39H,1-8H3
InChIKeyFYZZCMOKZWBGCA-UHFFFAOYSA-N
XLogP58.64
TPSA192.57 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds21
Heavy Atoms241
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003157.74
LogP ≤ 558.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 7-benzoyl-5-[2,8-bis(2,6-dimethylphenyl)-10-phenylphenazin-5-yl]-1,1,3,3-tetrafluoro-6-(3-phenylcarbazol-9-yl)-2H-indene-4-carbonitrile;5,6-bis[2,8-bis(2,6-dimethylphenyl)-10-phenylphenazin-5-yl]-1,1,3,3-tetrafluoro-7-nitro-2H-indene-4-carbonitrile;5',6'-bis(10,10-dimethyl-8-phenylbenzo[b][1,5]naphthyridin-5-yl)-7'-isocyano-1',1',3',3'-tetramethylspiro[fluorene-9,2'-indene]-4'-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-benzoyl-5-[2,8-bis(2,6-dimethylphenyl)-10-phenylphenazin-5-yl]-1,1,3,3-tetrafluoro-6-(3-phenylcarbazol-9-yl)-2H-indene-4-carbonitrile;5,6-bis[2,8-bis(2,6-dimethylphenyl)-10-phenylphenazin-5-yl]-1,1,3,3-tetrafluoro-7-nitro-2H-indene-4-carbonitrile;5',6'-bis(10,10-dimethyl-8-phenylbenzo[b][1,5]naphthyridin-5-yl)-7'-isocyano-1',1',3',3'-tetramethylspiro[fluorene-9,2'-indene]-4'-carbonitrile?
The IUPAC name of 7-benzoyl-5-[2,8-bis(2,6-dimethylphenyl)-10-phenylphenazin-5-yl]-1,1,3,3-tetrafluoro-6-(3-phenylcarbazol-9-yl)-2H-indene-4-carbonitrile;5,6-bis[2,8-bis(2,6-dimethylphenyl)-10-phenylphenazin-5-yl]-1,1,3,3-tetrafluoro-7-nitro-2H-indene-4-carbonitrile;5',6'-bis(10,10-dimethyl-8-phenylbenzo[b][1,5]naphthyridin-5-yl)-7'-isocyano-1',1',3',3'-tetramethylspiro[fluorene-9,2'-indene]-4'-carbonitrile (CID 158184769) is 7-benzoyl-5-[2,8-bis(2,6-dimethylphenyl)-10-phenylphenazin-5-yl]-1,1,3,3-tetrafluoro-6-(3-phenylcarbazol-9-yl)-2H-indene-4-carbonitrile;5,6-bis[2,8-bis(2,6-dimethylphenyl)-10-phenylphenazin-5-yl]-1,1,3,3-tetrafluoro-7-nitro-2H-indene-4-carbonitrile;5',6'-bis(10,10-dimethyl-8-phenylbenzo[b][1,5]naphthyridin-5-yl)-7'-isocyano-1',1',3',3'-tetramethylspiro[fluorene-9,2'-indene]-4'-carbonitrile.
What is the SMILES notation for 7-benzoyl-5-[2,8-bis(2,6-dimethylphenyl)-10-phenylphenazin-5-yl]-1,1,3,3-tetrafluoro-6-(3-phenylcarbazol-9-yl)-2H-indene-4-carbonitrile;5,6-bis[2,8-bis(2,6-dimethylphenyl)-10-phenylphenazin-5-yl]-1,1,3,3-tetrafluoro-7-nitro-2H-indene-4-carbonitrile;5',6'-bis(10,10-dimethyl-8-phenylbenzo[b][1,5]naphthyridin-5-yl)-7'-isocyano-1',1',3',3'-tetramethylspiro[fluorene-9,2'-indene]-4'-carbonitrile?
The canonical SMILES for 7-benzoyl-5-[2,8-bis(2,6-dimethylphenyl)-10-phenylphenazin-5-yl]-1,1,3,3-tetrafluoro-6-(3-phenylcarbazol-9-yl)-2H-indene-4-carbonitrile;5,6-bis[2,8-bis(2,6-dimethylphenyl)-10-phenylphenazin-5-yl]-1,1,3,3-tetrafluoro-7-nitro-2H-indene-4-carbonitrile;5',6'-bis(10,10-dimethyl-8-phenylbenzo[b][1,5]naphthyridin-5-yl)-7'-isocyano-1',1',3',3'-tetramethylspiro[fluorene-9,2'-indene]-4'-carbonitrile is Cc1cccc(C)c1-c1ccc2c(c1)N(c1ccccc1)c1cc(-c3c(C)cccc3C)ccc1N2c1c(C#N)c2c(c(C(=O)c3ccccc3)c1-n1c3ccccc3c3cc(-c4ccccc4)ccc31)C(F)(F)CC2(F)F.Cc1cccc(C)c1-c1ccc2c(c1)N(c1ccccc1)c1cc(-c3c(C)cccc3C)ccc1N2c1c(C#N)c2c(c([N+](=O)[O-])c1N1c3ccc(-c4c(C)cccc4C)cc3N(c3ccccc3)c3cc(-c4c(C)cccc4C)ccc31)C(F)(F)CC2(F)F.[C-]#[N+]c1c(N2c3ccc(-c4ccccc4)cc3C(C)(C)c3ncccc32)c(N2c3ccc(-c4ccccc4)cc3C(C)(C)c3ncccc32)c(C#N)c2c1C(C)(C)C1(c3ccccc3-c3ccccc31)C2(C)C.
What is the InChIKey of 7-benzoyl-5-[2,8-bis(2,6-dimethylphenyl)-10-phenylphenazin-5-yl]-1,1,3,3-tetrafluoro-6-(3-phenylcarbazol-9-yl)-2H-indene-4-carbonitrile;5,6-bis[2,8-bis(2,6-dimethylphenyl)-10-phenylphenazin-5-yl]-1,1,3,3-tetrafluoro-7-nitro-2H-indene-4-carbonitrile;5',6'-bis(10,10-dimethyl-8-phenylbenzo[b][1,5]naphthyridin-5-yl)-7'-isocyano-1',1',3',3'-tetramethylspiro[fluorene-9,2'-indene]-4'-carbonitrile?
The InChIKey is FYZZCMOKZWBGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H60F4N6O2.C69H48F4N4O.C67H54N6/c1-45-19-15-20-46(2)68(45)53-31-35-60-64(39-53)84(57-27-11-9-12-28-57)65-40-54(69-47(3)21-16-22-48(69)4)32-36-61(65)86(60)74-59(43-83)72-73(78(81,82)44-77(72,79)80)75(88(89)90)76(74)87-62-37-33-55(70-49(5)23-17-24-50(70)6)41-66(62)85(58-29-13-10-14-30-58)67-42-56(34-38-63(67)87)71-51(7)25-18-26-52(71)8;1-41-18-16-19-42(2)60(41)48-31-34-56-58(37-48)75(50-26-12-7-13-27-50)59-38-49(61-43(3)20-17-21-44(61)4)32-35-57(59)77(56)65-53(39-74)63-64(69(72,73)40-68(63,70)71)62(67(78)46-24-10-6-11-25-46)66(65)76-54-29-15-14-28-51(54)52-36-47(30-33-55(52)76)45-22-8-5-9-23-45;1-63(2)50-38-43(41-22-12-10-13-23-41)32-34-52(50)72(54-30-20-36-70-61(54)63)59-47(40-68)56-57(66(7,8)67(65(56,5)6)48-28-18-16-26-45(48)46-27-17-19-29-49(46)67)58(69-9)60(59)73-53-35-33-44(42-24-14-11-15-25-42)39-51(53)64(3,4)62-55(73)31-21-37-71-62/h9-42H,44H2,1-8H3;5-38H,40H2,1-4H3;10-39H,1-8H3.
What are the key properties of 7-benzoyl-5-[2,8-bis(2,6-dimethylphenyl)-10-phenylphenazin-5-yl]-1,1,3,3-tetrafluoro-6-(3-phenylcarbazol-9-yl)-2H-indene-4-carbonitrile;5,6-bis[2,8-bis(2,6-dimethylphenyl)-10-phenylphenazin-5-yl]-1,1,3,3-tetrafluoro-7-nitro-2H-indene-4-carbonitrile;5',6'-bis(10,10-dimethyl-8-phenylbenzo[b][1,5]naphthyridin-5-yl)-7'-isocyano-1',1',3',3'-tetramethylspiro[fluorene-9,2'-indene]-4'-carbonitrile?
7-benzoyl-5-[2,8-bis(2,6-dimethylphenyl)-10-phenylphenazin-5-yl]-1,1,3,3-tetrafluoro-6-(3-phenylcarbazol-9-yl)-2H-indene-4-carbonitrile;5,6-bis[2,8-bis(2,6-dimethylphenyl)-10-phenylphenazin-5-yl]-1,1,3,3-tetrafluoro-7-nitro-2H-indene-4-carbonitrile;5',6'-bis(10,10-dimethyl-8-phenylbenzo[b][1,5]naphthyridin-5-yl)-7'-isocyano-1',1',3',3'-tetramethylspiro[fluorene-9,2'-indene]-4'-carbonitrile has a molecular weight of 3157.74 g/mol, XLogP of 58.64, 21 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzoyl-5-[2,8-bis(2,6-dimethylphenyl)-10-phenylphenazin-5-yl]-1,1,3,3-tetrafluoro-6-(3-phenylcarbazol-9-yl)-2H-indene-4-carbonitrile;5,6-bis[2,8-bis(2,6-dimethylphenyl)-10-phenylphenazin-5-yl]-1,1,3,3-tetrafluoro-7-nitro-2H-indene-4-carbonitrile;5',6'-bis(10,10-dimethyl-8-phenylbenzo[b][1,5]naphthyridin-5-yl)-7'-isocyano-1',1',3',3'-tetramethylspiro[fluorene-9,2'-indene]-4'-carbonitrile is sourced from PubChem (CID 158184769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).