N-[4-[(Z)-2-(1,3-benzoxazol-2-yl)-2-isocyanoethenyl]phenyl]-N-naphthalen-2-ylphenanthren-9-amine;(Z)-2-(1,3-benzoxazol-2-yl)-3-[4-(N-[4-[4-[4-[(E)-2-phenylethenyl]phenyl]hexan-2-yl]phenyl]anilino)phenyl]prop-2-enenitrile;(E)-N,N-diethyl-1-isocyano-2-[4-(N-phenylanilino)phenyl]ethenesulfonamide;N-[4-[(E)-2-[1-(2-methylphenyl)benzimidazol-2-yl]ethenyl]phenyl]-N-phenylanthracen-9-amine;(Z)-4-[4-(N-phenylanilino)phenyl]-3-(trifluoromethyl)but-3-en-2-one;N-phenyl-N-[4-[(E)-2-(1-phenylbenzimidazol-2-yl)ethenyl]phenyl]phenanthren-9-amine

C219H169F3N16O5S — CID 159084741

About N-[4-[(Z)-2-(1,3-benzoxazol-2-yl)-2-isocyanoethenyl]phenyl]-N-naphthalen-2-ylphenanthren-9-amine;(Z)-2-(1,3-benzoxazol-2-yl)-3-[4-(N-[4-[4-[4-[(E)-2-phenylethenyl]phenyl]hexan-2-yl]phenyl]anilino)phenyl]prop-2-enenitrile;(E)-N,N-diethyl-1-isocyano-2-[4-(N-phenylanilino)phenyl]ethenesulfonamide;N-[4-[(E)-2-[1-(2-methylphenyl)benzimidazol-2-yl]ethenyl]phenyl]-N-phenylanthracen-9-amine;(Z)-4-[4-(N-phenylanilino)phenyl]-3-(trifluoromethyl)but-3-en-2-one;N-phenyl-N-[4-[(E)-2-(1-phenylbenzimidazol-2-yl)ethenyl]phenyl]phenanthren-9-amine

N-[4-[(Z)-2-(1,3-benzoxazol-2-yl)-2-isocyanoethenyl]phenyl]-N-naphthalen-2-ylphenanthren-9-amine;(Z)-2-(1,3-benzoxazol-2-yl)-3-[4-(N-[4-[4-[4-[(E)-2-phenylethenyl]phenyl]hexan-2-yl]phenyl]anilino)phenyl]prop-2-enenitrile;(E)-N,N-diethyl-1-isocyano-2-[4-(N-phenylanilino)phenyl]ethenesulfonamide;N-[4-[(E)-2-[1-(2-methylphenyl)benzimidazol-2-yl]ethenyl]phenyl]-N-phenylanthracen-9-amine;(Z)-4-[4-(N-phenylanilino)phenyl]-3-(trifluoromethyl)but-3-en-2-one;N-phenyl-N-[4-[(E)-2-(1-phenylbenzimidazol-2-yl)ethenyl]phenyl]phenanthren-9-amine (PubChem CID 159084741) has the molecular formula C219H169F3N16O5S and a molecular weight of 3193.93 g/mol. Its IUPAC name is N-[4-[(Z)-2-(1,3-benzoxazol-2-yl)-2-isocyanoethenyl]phenyl]-N-naphthalen-2-ylphenanthren-9-amine;(Z)-2-(1,3-benzoxazol-2-yl)-3-[4-(N-[4-[4-[4-[(E)-2-phenylethenyl]phenyl]hexan-2-yl]phenyl]anilino)phenyl]prop-2-enenitrile;(E)-N,N-diethyl-1-isocyano-2-[4-(N-phenylanilino)phenyl]ethenesulfonamide;N-[4-[(E)-2-[1-(2-methylphenyl)benzimidazol-2-yl]ethenyl]phenyl]-N-phenylanthracen-9-amine;(Z)-4-[4-(N-phenylanilino)phenyl]-3-(trifluoromethyl)but-3-en-2-one;N-phenyl-N-[4-[(E)-2-(1-phenylbenzimidazol-2-yl)ethenyl]phenyl]phenanthren-9-amine.

Molecular Properties

• Compound Name: N-[4-[(Z)-2-(1,3-benzoxazol-2-yl)-2-isocyanoethenyl]phenyl]-N-naphthalen-2-ylphenanthren-9-amine;(Z)-2-(1,3-benzoxazol-2-yl)-3-[4-(N-[4-[4-[4-[(E)-2-phenylethenyl]phenyl]hexan-2-yl]phenyl]anilino)phenyl]prop-2-enenitrile;(E)-N,N-diethyl-1-isocyano-2-[4-(N-phenylanilino)phenyl]ethenesulfonamide;N-[4-[(E)-2-[1-(2-methylphenyl)benzimidazol-2-yl]ethenyl]phenyl]-N-phenylanthracen-9-amine;(Z)-4-[4-(N-phenylanilino)phenyl]-3-(trifluoromethyl)but-3-en-2-one;N-phenyl-N-[4-[(E)-2-(1-phenylbenzimidazol-2-yl)ethenyl]phenyl]phenanthren-9-amine
• PubChem CID: 159084741
• Molecular Formula: C219H169F3N16O5S
• Molecular Weight: 3193.93 g/mol
• Exact Mass: 3191.31
• IUPAC Name: N-[4-[(Z)-2-(1,3-benzoxazol-2-yl)-2-isocyanoethenyl]phenyl]-N-naphthalen-2-ylphenanthren-9-amine;(Z)-2-(1,3-benzoxazol-2-yl)-3-[4-(N-[4-[4-[4-[(E)-2-phenylethenyl]phenyl]hexan-2-yl]phenyl]anilino)phenyl]prop-2-enenitrile;(E)-N,N-diethyl-1-isocyano-2-[4-(N-phenylanilino)phenyl]ethenesulfonamide;N-[4-[(E)-2-[1-(2-methylphenyl)benzimidazol-2-yl]ethenyl]phenyl]-N-phenylanthracen-9-amine;(Z)-4-[4-(N-phenylanilino)phenyl]-3-(trifluoromethyl)but-3-en-2-one;N-phenyl-N-[4-[(E)-2-(1-phenylbenzimidazol-2-yl)ethenyl]phenyl]phenanthren-9-amine
• SMILES: C(=C/c1nc2ccccc2n1-c1ccccc1)\c1ccc(N(c2ccccc2)c2cc3ccccc3c3ccccc23)cc1.CC(=O)/C(=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1)C(F)(F)F.CCC(CC(C)c1ccc(N(c2ccccc2)c2ccc(/C=C(/C#N)c3nc4ccccc4o3)cc2)cc1)c1ccc(/C=C/c2ccccc2)cc1.Cc1ccccc1-n1c(/C=C/c2ccc(N(c3ccccc3)c3c4ccccc4cc4ccccc34)cc2)nc2ccccc21.[C-]#[N+]/C(=C\c1ccc(N(c2ccc3ccccc3c2)c2cc3ccccc3c3ccccc23)cc1)c1nc2ccccc2o1.[C-]#[N+]/C(=C\c1ccc(N(c2ccccc2)c2ccccc2)cc1)S(=O)(=O)N(CC)CC
• InChI: InChI=1S/C48H41N3O.C42H31N3.C41H29N3.C40H25N3O.C25H25N3O2S.C23H18F3NO/c1-3-39(41-24-20-37(21-25-41)19-18-36-12-6-4-7-13-36)32-35(2)40-26-30-45(31-27-40)51(43-14-8-5-9-15-43)44-28-22-38(23-29-44)33-42(34-49)48-50-46-16-10-11-17-47(46)52-48;1-30-13-5-11-21-39(30)45-40-22-12-10-20-38(40)43-41(45)28-25-31-23-26-35(27-24-31)44(34-16-3-2-4-17-34)42-36-18-8-6-14-32(36)29-33-15-7-9-19-37(33)42;1-3-14-32(15-4-1)43(40-29-31-13-7-8-18-35(31)36-19-9-10-20-37(36)40)34-26-23-30(24-27-34)25-28-41-42-38-21-11-12-22-39(38)44(41)33-16-5-2-6-17-33;1-41-37(40-42-36-16-8-9-17-39(36)44-40)24-27-18-21-31(22-19-27)43(32-23-20-28-10-2-3-11-29(28)25-32)38-26-30-12-4-5-13-33(30)34-14-6-7-15-35(34)38;1-4-27(5-2)31(29,30)25(26-3)20-21-16-18-24(19-17-21)28(22-12-8-6-9-13-22)23-14-10-7-11-15-23;1-17(28)22(23(24,25)26)16-18-12-14-21(15-13-18)27(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h4-31,33,35,39H,3,32H2,1-2H3;2-29H,1H3;1-29H;2-26H;6-20H,4-5H2,1-2H3;2-16H,1H3/b19-18+,42-33-;2*28-25+;37-24-;25-20+;22-16-
• InChIKey: KBHOZWCWDHKMBO-OAFDSZFXSA-N
• XLogP: 59.38
• TPSA: 194.10 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 42
• Heavy Atoms: 244
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3193.93
LogP ≤ 5	59.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-[(Z)-2-(1,3-benzoxazol-2-yl)-2-isocyanoethenyl]phenyl]-N-naphthalen-2-ylphenanthren-9-amine;(Z)-2-(1,3-benzoxazol-2-yl)-3-[4-(N-[4-[4-[4-[(E)-2-phenylethenyl]phenyl]hexan-2-yl]phenyl]anilino)phenyl]prop-2-enenitrile;(E)-N,N-diethyl-1-isocyano-2-[4-(N-phenylanilino)phenyl]ethenesulfonamide;N-[4-[(E)-2-[1-(2-methylphenyl)benzimidazol-2-yl]ethenyl]phenyl]-N-phenylanthracen-9-amine;(Z)-4-[4-(N-phenylanilino)phenyl]-3-(trifluoromethyl)but-3-en-2-one;N-phenyl-N-[4-[(E)-2-(1-phenylbenzimidazol-2-yl)ethenyl]phenyl]phenanthren-9-amine?

The IUPAC name of N-[4-[(Z)-2-(1,3-benzoxazol-2-yl)-2-isocyanoethenyl]phenyl]-N-naphthalen-2-ylphenanthren-9-amine;(Z)-2-(1,3-benzoxazol-2-yl)-3-[4-(N-[4-[4-[4-[(E)-2-phenylethenyl]phenyl]hexan-2-yl]phenyl]anilino)phenyl]prop-2-enenitrile;(E)-N,N-diethyl-1-isocyano-2-[4-(N-phenylanilino)phenyl]ethenesulfonamide;N-[4-[(E)-2-[1-(2-methylphenyl)benzimidazol-2-yl]ethenyl]phenyl]-N-phenylanthracen-9-amine;(Z)-4-[4-(N-phenylanilino)phenyl]-3-(trifluoromethyl)but-3-en-2-one;N-phenyl-N-[4-[(E)-2-(1-phenylbenzimidazol-2-yl)ethenyl]phenyl]phenanthren-9-amine (CID 159084741) is N-[4-[(Z)-2-(1,3-benzoxazol-2-yl)-2-isocyanoethenyl]phenyl]-N-naphthalen-2-ylphenanthren-9-amine;(Z)-2-(1,3-benzoxazol-2-yl)-3-[4-(N-[4-[4-[4-[(E)-2-phenylethenyl]phenyl]hexan-2-yl]phenyl]anilino)phenyl]prop-2-enenitrile;(E)-N,N-diethyl-1-isocyano-2-[4-(N-phenylanilino)phenyl]ethenesulfonamide;N-[4-[(E)-2-[1-(2-methylphenyl)benzimidazol-2-yl]ethenyl]phenyl]-N-phenylanthracen-9-amine;(Z)-4-[4-(N-phenylanilino)phenyl]-3-(trifluoromethyl)but-3-en-2-one;N-phenyl-N-[4-[(E)-2-(1-phenylbenzimidazol-2-yl)ethenyl]phenyl]phenanthren-9-amine.

What is the SMILES notation for N-[4-[(Z)-2-(1,3-benzoxazol-2-yl)-2-isocyanoethenyl]phenyl]-N-naphthalen-2-ylphenanthren-9-amine;(Z)-2-(1,3-benzoxazol-2-yl)-3-[4-(N-[4-[4-[4-[(E)-2-phenylethenyl]phenyl]hexan-2-yl]phenyl]anilino)phenyl]prop-2-enenitrile;(E)-N,N-diethyl-1-isocyano-2-[4-(N-phenylanilino)phenyl]ethenesulfonamide;N-[4-[(E)-2-[1-(2-methylphenyl)benzimidazol-2-yl]ethenyl]phenyl]-N-phenylanthracen-9-amine;(Z)-4-[4-(N-phenylanilino)phenyl]-3-(trifluoromethyl)but-3-en-2-one;N-phenyl-N-[4-[(E)-2-(1-phenylbenzimidazol-2-yl)ethenyl]phenyl]phenanthren-9-amine?

The canonical SMILES for N-[4-[(Z)-2-(1,3-benzoxazol-2-yl)-2-isocyanoethenyl]phenyl]-N-naphthalen-2-ylphenanthren-9-amine;(Z)-2-(1,3-benzoxazol-2-yl)-3-[4-(N-[4-[4-[4-[(E)-2-phenylethenyl]phenyl]hexan-2-yl]phenyl]anilino)phenyl]prop-2-enenitrile;(E)-N,N-diethyl-1-isocyano-2-[4-(N-phenylanilino)phenyl]ethenesulfonamide;N-[4-[(E)-2-[1-(2-methylphenyl)benzimidazol-2-yl]ethenyl]phenyl]-N-phenylanthracen-9-amine;(Z)-4-[4-(N-phenylanilino)phenyl]-3-(trifluoromethyl)but-3-en-2-one;N-phenyl-N-[4-[(E)-2-(1-phenylbenzimidazol-2-yl)ethenyl]phenyl]phenanthren-9-amine is C(=C/c1nc2ccccc2n1-c1ccccc1)\c1ccc(N(c2ccccc2)c2cc3ccccc3c3ccccc23)cc1.CC(=O)/C(=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1)C(F)(F)F.CCC(CC(C)c1ccc(N(c2ccccc2)c2ccc(/C=C(/C#N)c3nc4ccccc4o3)cc2)cc1)c1ccc(/C=C/c2ccccc2)cc1.Cc1ccccc1-n1c(/C=C/c2ccc(N(c3ccccc3)c3c4ccccc4cc4ccccc34)cc2)nc2ccccc21.[C-]#[N+]/C(=C\c1ccc(N(c2ccc3ccccc3c2)c2cc3ccccc3c3ccccc23)cc1)c1nc2ccccc2o1.[C-]#[N+]/C(=C\c1ccc(N(c2ccccc2)c2ccccc2)cc1)S(=O)(=O)N(CC)CC.

What is the InChIKey of N-[4-[(Z)-2-(1,3-benzoxazol-2-yl)-2-isocyanoethenyl]phenyl]-N-naphthalen-2-ylphenanthren-9-amine;(Z)-2-(1,3-benzoxazol-2-yl)-3-[4-(N-[4-[4-[4-[(E)-2-phenylethenyl]phenyl]hexan-2-yl]phenyl]anilino)phenyl]prop-2-enenitrile;(E)-N,N-diethyl-1-isocyano-2-[4-(N-phenylanilino)phenyl]ethenesulfonamide;N-[4-[(E)-2-[1-(2-methylphenyl)benzimidazol-2-yl]ethenyl]phenyl]-N-phenylanthracen-9-amine;(Z)-4-[4-(N-phenylanilino)phenyl]-3-(trifluoromethyl)but-3-en-2-one;N-phenyl-N-[4-[(E)-2-(1-phenylbenzimidazol-2-yl)ethenyl]phenyl]phenanthren-9-amine?

The InChIKey is KBHOZWCWDHKMBO-OAFDSZFXSA-N. The full InChI is InChI=1S/C48H41N3O.C42H31N3.C41H29N3.C40H25N3O.C25H25N3O2S.C23H18F3NO/c1-3-39(41-24-20-37(21-25-41)19-18-36-12-6-4-7-13-36)32-35(2)40-26-30-45(31-27-40)51(43-14-8-5-9-15-43)44-28-22-38(23-29-44)33-42(34-49)48-50-46-16-10-11-17-47(46)52-48;1-30-13-5-11-21-39(30)45-40-22-12-10-20-38(40)43-41(45)28-25-31-23-26-35(27-24-31)44(34-16-3-2-4-17-34)42-36-18-8-6-14-32(36)29-33-15-7-9-19-37(33)42;1-3-14-32(15-4-1)43(40-29-31-13-7-8-18-35(31)36-19-9-10-20-37(36)40)34-26-23-30(24-27-34)25-28-41-42-38-21-11-12-22-39(38)44(41)33-16-5-2-6-17-33;1-41-37(40-42-36-16-8-9-17-39(36)44-40)24-27-18-21-31(22-19-27)43(32-23-20-28-10-2-3-11-29(28)25-32)38-26-30-12-4-5-13-33(30)34-14-6-7-15-35(34)38;1-4-27(5-2)31(29,30)25(26-3)20-21-16-18-24(19-17-21)28(22-12-8-6-9-13-22)23-14-10-7-11-15-23;1-17(28)22(23(24,25)26)16-18-12-14-21(15-13-18)27(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h4-31,33,35,39H,3,32H2,1-2H3;2-29H,1H3;1-29H;2-26H;6-20H,4-5H2,1-2H3;2-16H,1H3/b19-18+,42-33-;2*28-25+;37-24-;25-20+;22-16-.

What are the key properties of N-[4-[(Z)-2-(1,3-benzoxazol-2-yl)-2-isocyanoethenyl]phenyl]-N-naphthalen-2-ylphenanthren-9-amine;(Z)-2-(1,3-benzoxazol-2-yl)-3-[4-(N-[4-[4-[4-[(E)-2-phenylethenyl]phenyl]hexan-2-yl]phenyl]anilino)phenyl]prop-2-enenitrile;(E)-N,N-diethyl-1-isocyano-2-[4-(N-phenylanilino)phenyl]ethenesulfonamide;N-[4-[(E)-2-[1-(2-methylphenyl)benzimidazol-2-yl]ethenyl]phenyl]-N-phenylanthracen-9-amine;(Z)-4-[4-(N-phenylanilino)phenyl]-3-(trifluoromethyl)but-3-en-2-one;N-phenyl-N-[4-[(E)-2-(1-phenylbenzimidazol-2-yl)ethenyl]phenyl]phenanthren-9-amine?

N-[4-[(Z)-2-(1,3-benzoxazol-2-yl)-2-isocyanoethenyl]phenyl]-N-naphthalen-2-ylphenanthren-9-amine;(Z)-2-(1,3-benzoxazol-2-yl)-3-[4-(N-[4-[4-[4-[(E)-2-phenylethenyl]phenyl]hexan-2-yl]phenyl]anilino)phenyl]prop-2-enenitrile;(E)-N,N-diethyl-1-isocyano-2-[4-(N-phenylanilino)phenyl]ethenesulfonamide;N-[4-[(E)-2-[1-(2-methylphenyl)benzimidazol-2-yl]ethenyl]phenyl]-N-phenylanthracen-9-amine;(Z)-4-[4-(N-phenylanilino)phenyl]-3-(trifluoromethyl)but-3-en-2-one;N-phenyl-N-[4-[(E)-2-(1-phenylbenzimidazol-2-yl)ethenyl]phenyl]phenanthren-9-amine has a molecular weight of 3193.93 g/mol, XLogP of 59.38, 42 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(Z)-2-(1,3-benzoxazol-2-yl)-2-isocyanoethenyl]phenyl]-N-naphthalen-2-ylphenanthren-9-amine;(Z)-2-(1,3-benzoxazol-2-yl)-3-[4-(N-[4-[4-[4-[(E)-2-phenylethenyl]phenyl]hexan-2-yl]phenyl]anilino)phenyl]prop-2-enenitrile;(E)-N,N-diethyl-1-isocyano-2-[4-(N-phenylanilino)phenyl]ethenesulfonamide;N-[4-[(E)-2-[1-(2-methylphenyl)benzimidazol-2-yl]ethenyl]phenyl]-N-phenylanthracen-9-amine;(Z)-4-[4-(N-phenylanilino)phenyl]-3-(trifluoromethyl)but-3-en-2-one;N-phenyl-N-[4-[(E)-2-(1-phenylbenzimidazol-2-yl)ethenyl]phenyl]phenanthren-9-amine is sourced from PubChem (CID 159084741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).