4-(N-[5-(4-cyano-N-(4-cyano-3-fluorophenyl)-3-fluoroanilino)-7,7-dimethylbenzo[g]fluoren-9-yl]-3-fluoro-4-isocyanoanilino)-2-fluorobenzonitrile;4-(N-[5-(N-(4-cyanophenyl)anilino)-7,7-dimethylbenzo[g]fluoren-9-yl]anilino)benzonitrile;7,7-dimethyl-5-N,9-N-bis(4-methylphenyl)-5-N,9-N-diphenylbenzo[c]fluorene-5,9-diamine;5-N,5-N,9-N,9-N-tetrakis(3,5-dimethylphenyl)-7,7-dimethylbenzo[c]fluorene-5,9-diamine

C188H146F4N14 — CID 165093256

About 4-(N-[5-(4-cyano-N-(4-cyano-3-fluorophenyl)-3-fluoroanilino)-7,7-dimethylbenzo[g]fluoren-9-yl]-3-fluoro-4-isocyanoanilino)-2-fluorobenzonitrile;4-(N-[5-(N-(4-cyanophenyl)anilino)-7,7-dimethylbenzo[g]fluoren-9-yl]anilino)benzonitrile;7,7-dimethyl-5-N,9-N-bis(4-methylphenyl)-5-N,9-N-diphenylbenzo[c]fluorene-5,9-diamine;5-N,5-N,9-N,9-N-tetrakis(3,5-dimethylphenyl)-7,7-dimethylbenzo[c]fluorene-5,9-diamine

4-(N-[5-(4-cyano-N-(4-cyano-3-fluorophenyl)-3-fluoroanilino)-7,7-dimethylbenzo[g]fluoren-9-yl]-3-fluoro-4-isocyanoanilino)-2-fluorobenzonitrile;4-(N-[5-(N-(4-cyanophenyl)anilino)-7,7-dimethylbenzo[g]fluoren-9-yl]anilino)benzonitrile;7,7-dimethyl-5-N,9-N-bis(4-methylphenyl)-5-N,9-N-diphenylbenzo[c]fluorene-5,9-diamine;5-N,5-N,9-N,9-N-tetrakis(3,5-dimethylphenyl)-7,7-dimethylbenzo[c]fluorene-5,9-diamine (PubChem CID 165093256) has the molecular formula C188H146F4N14 and a molecular weight of 2677.33 g/mol. Its IUPAC name is 4-(N-[5-(4-cyano-N-(4-cyano-3-fluorophenyl)-3-fluoroanilino)-7,7-dimethylbenzo[g]fluoren-9-yl]-3-fluoro-4-isocyanoanilino)-2-fluorobenzonitrile;4-(N-[5-(N-(4-cyanophenyl)anilino)-7,7-dimethylbenzo[g]fluoren-9-yl]anilino)benzonitrile;7,7-dimethyl-5-N,9-N-bis(4-methylphenyl)-5-N,9-N-diphenylbenzo[c]fluorene-5,9-diamine;5-N,5-N,9-N,9-N-tetrakis(3,5-dimethylphenyl)-7,7-dimethylbenzo[c]fluorene-5,9-diamine.

Molecular Properties

• Compound Name: 4-(N-[5-(4-cyano-N-(4-cyano-3-fluorophenyl)-3-fluoroanilino)-7,7-dimethylbenzo[g]fluoren-9-yl]-3-fluoro-4-isocyanoanilino)-2-fluorobenzonitrile;4-(N-[5-(N-(4-cyanophenyl)anilino)-7,7-dimethylbenzo[g]fluoren-9-yl]anilino)benzonitrile;7,7-dimethyl-5-N,9-N-bis(4-methylphenyl)-5-N,9-N-diphenylbenzo[c]fluorene-5,9-diamine;5-N,5-N,9-N,9-N-tetrakis(3,5-dimethylphenyl)-7,7-dimethylbenzo[c]fluorene-5,9-diamine
• PubChem CID: 165093256
• Molecular Formula: C188H146F4N14
• Molecular Weight: 2677.33 g/mol
• Exact Mass: 2675.18
• IUPAC Name: 4-(N-[5-(4-cyano-N-(4-cyano-3-fluorophenyl)-3-fluoroanilino)-7,7-dimethylbenzo[g]fluoren-9-yl]-3-fluoro-4-isocyanoanilino)-2-fluorobenzonitrile;4-(N-[5-(N-(4-cyanophenyl)anilino)-7,7-dimethylbenzo[g]fluoren-9-yl]anilino)benzonitrile;7,7-dimethyl-5-N,9-N-bis(4-methylphenyl)-5-N,9-N-diphenylbenzo[c]fluorene-5,9-diamine;5-N,5-N,9-N,9-N-tetrakis(3,5-dimethylphenyl)-7,7-dimethylbenzo[c]fluorene-5,9-diamine
• SMILES: CC1(C)c2cc(N(c3ccccc3)c3ccc(C#N)cc3)ccc2-c2c1cc(N(c1ccccc1)c1ccc(C#N)cc1)c1ccccc21.Cc1cc(C)cc(N(c2cc(C)cc(C)c2)c2ccc3c(c2)C(C)(C)c2cc(N(c4cc(C)cc(C)c4)c4cc(C)cc(C)c4)c4ccccc4c2-3)c1.Cc1ccc(N(c2ccccc2)c2ccc3c(c2)C(C)(C)c2cc(N(c4ccccc4)c4ccc(C)cc4)c4ccccc4c2-3)cc1.[C-]#[N+]c1ccc(N(c2ccc(C#N)c(F)c2)c2ccc3c(c2)C(C)(C)c2cc(N(c4ccc(C#N)c(F)c4)c4ccc(C#N)c(F)c4)c4ccccc4c2-3)cc1F
• InChI: InChI=1S/C51H50N2.C47H26F4N6.C45H32N4.C45H38N2/c1-31-17-32(2)22-40(21-31)52(41-23-33(3)18-34(4)24-41)39-15-16-46-47(29-39)51(9,10)48-30-49(44-13-11-12-14-45(44)50(46)48)53(42-25-35(5)19-36(6)26-42)43-27-37(7)20-38(8)28-43;1-47(2)38-18-30(56(31-11-8-27(24-52)40(48)19-31)32-15-17-44(55-3)43(51)22-32)14-16-37(38)46-36-7-5-4-6-35(36)45(23-39(46)47)57(33-12-9-28(25-53)41(49)20-33)34-13-10-29(26-54)42(50)21-34;1-45(2)41-27-37(48(33-11-5-3-6-12-33)35-21-17-31(29-46)18-22-35)25-26-40(41)44-39-16-10-9-15-38(39)43(28-42(44)45)49(34-13-7-4-8-14-34)36-23-19-32(30-47)20-24-36;1-31-19-23-35(24-20-31)46(33-13-7-5-8-14-33)37-27-28-40-41(29-37)45(3,4)42-30-43(38-17-11-12-18-39(38)44(40)42)47(34-15-9-6-10-16-34)36-25-21-32(2)22-26-36/h11-30H,1-10H3;4-23H,1-2H3;3-28H,1-2H3;5-30H,1-4H3
• InChIKey: XBOCOHLNWUPPIJ-UHFFFAOYSA-N
• XLogP: 51.89
• TPSA: 149.23 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 24
• Heavy Atoms: 206
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2677.33
LogP ≤ 5	51.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(N-[5-(4-cyano-N-(4-cyano-3-fluorophenyl)-3-fluoroanilino)-7,7-dimethylbenzo[g]fluoren-9-yl]-3-fluoro-4-isocyanoanilino)-2-fluorobenzonitrile;4-(N-[5-(N-(4-cyanophenyl)anilino)-7,7-dimethylbenzo[g]fluoren-9-yl]anilino)benzonitrile;7,7-dimethyl-5-N,9-N-bis(4-methylphenyl)-5-N,9-N-diphenylbenzo[c]fluorene-5,9-diamine;5-N,5-N,9-N,9-N-tetrakis(3,5-dimethylphenyl)-7,7-dimethylbenzo[c]fluorene-5,9-diamine?

The IUPAC name of 4-(N-[5-(4-cyano-N-(4-cyano-3-fluorophenyl)-3-fluoroanilino)-7,7-dimethylbenzo[g]fluoren-9-yl]-3-fluoro-4-isocyanoanilino)-2-fluorobenzonitrile;4-(N-[5-(N-(4-cyanophenyl)anilino)-7,7-dimethylbenzo[g]fluoren-9-yl]anilino)benzonitrile;7,7-dimethyl-5-N,9-N-bis(4-methylphenyl)-5-N,9-N-diphenylbenzo[c]fluorene-5,9-diamine;5-N,5-N,9-N,9-N-tetrakis(3,5-dimethylphenyl)-7,7-dimethylbenzo[c]fluorene-5,9-diamine (CID 165093256) is 4-(N-[5-(4-cyano-N-(4-cyano-3-fluorophenyl)-3-fluoroanilino)-7,7-dimethylbenzo[g]fluoren-9-yl]-3-fluoro-4-isocyanoanilino)-2-fluorobenzonitrile;4-(N-[5-(N-(4-cyanophenyl)anilino)-7,7-dimethylbenzo[g]fluoren-9-yl]anilino)benzonitrile;7,7-dimethyl-5-N,9-N-bis(4-methylphenyl)-5-N,9-N-diphenylbenzo[c]fluorene-5,9-diamine;5-N,5-N,9-N,9-N-tetrakis(3,5-dimethylphenyl)-7,7-dimethylbenzo[c]fluorene-5,9-diamine.

What is the SMILES notation for 4-(N-[5-(4-cyano-N-(4-cyano-3-fluorophenyl)-3-fluoroanilino)-7,7-dimethylbenzo[g]fluoren-9-yl]-3-fluoro-4-isocyanoanilino)-2-fluorobenzonitrile;4-(N-[5-(N-(4-cyanophenyl)anilino)-7,7-dimethylbenzo[g]fluoren-9-yl]anilino)benzonitrile;7,7-dimethyl-5-N,9-N-bis(4-methylphenyl)-5-N,9-N-diphenylbenzo[c]fluorene-5,9-diamine;5-N,5-N,9-N,9-N-tetrakis(3,5-dimethylphenyl)-7,7-dimethylbenzo[c]fluorene-5,9-diamine?

The canonical SMILES for 4-(N-[5-(4-cyano-N-(4-cyano-3-fluorophenyl)-3-fluoroanilino)-7,7-dimethylbenzo[g]fluoren-9-yl]-3-fluoro-4-isocyanoanilino)-2-fluorobenzonitrile;4-(N-[5-(N-(4-cyanophenyl)anilino)-7,7-dimethylbenzo[g]fluoren-9-yl]anilino)benzonitrile;7,7-dimethyl-5-N,9-N-bis(4-methylphenyl)-5-N,9-N-diphenylbenzo[c]fluorene-5,9-diamine;5-N,5-N,9-N,9-N-tetrakis(3,5-dimethylphenyl)-7,7-dimethylbenzo[c]fluorene-5,9-diamine is CC1(C)c2cc(N(c3ccccc3)c3ccc(C#N)cc3)ccc2-c2c1cc(N(c1ccccc1)c1ccc(C#N)cc1)c1ccccc21.Cc1cc(C)cc(N(c2cc(C)cc(C)c2)c2ccc3c(c2)C(C)(C)c2cc(N(c4cc(C)cc(C)c4)c4cc(C)cc(C)c4)c4ccccc4c2-3)c1.Cc1ccc(N(c2ccccc2)c2ccc3c(c2)C(C)(C)c2cc(N(c4ccccc4)c4ccc(C)cc4)c4ccccc4c2-3)cc1.[C-]#[N+]c1ccc(N(c2ccc(C#N)c(F)c2)c2ccc3c(c2)C(C)(C)c2cc(N(c4ccc(C#N)c(F)c4)c4ccc(C#N)c(F)c4)c4ccccc4c2-3)cc1F.

What is the InChIKey of 4-(N-[5-(4-cyano-N-(4-cyano-3-fluorophenyl)-3-fluoroanilino)-7,7-dimethylbenzo[g]fluoren-9-yl]-3-fluoro-4-isocyanoanilino)-2-fluorobenzonitrile;4-(N-[5-(N-(4-cyanophenyl)anilino)-7,7-dimethylbenzo[g]fluoren-9-yl]anilino)benzonitrile;7,7-dimethyl-5-N,9-N-bis(4-methylphenyl)-5-N,9-N-diphenylbenzo[c]fluorene-5,9-diamine;5-N,5-N,9-N,9-N-tetrakis(3,5-dimethylphenyl)-7,7-dimethylbenzo[c]fluorene-5,9-diamine?

The InChIKey is XBOCOHLNWUPPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H50N2.C47H26F4N6.C45H32N4.C45H38N2/c1-31-17-32(2)22-40(21-31)52(41-23-33(3)18-34(4)24-41)39-15-16-46-47(29-39)51(9,10)48-30-49(44-13-11-12-14-45(44)50(46)48)53(42-25-35(5)19-36(6)26-42)43-27-37(7)20-38(8)28-43;1-47(2)38-18-30(56(31-11-8-27(24-52)40(48)19-31)32-15-17-44(55-3)43(51)22-32)14-16-37(38)46-36-7-5-4-6-35(36)45(23-39(46)47)57(33-12-9-28(25-53)41(49)20-33)34-13-10-29(26-54)42(50)21-34;1-45(2)41-27-37(48(33-11-5-3-6-12-33)35-21-17-31(29-46)18-22-35)25-26-40(41)44-39-16-10-9-15-38(39)43(28-42(44)45)49(34-13-7-4-8-14-34)36-23-19-32(30-47)20-24-36;1-31-19-23-35(24-20-31)46(33-13-7-5-8-14-33)37-27-28-40-41(29-37)45(3,4)42-30-43(38-17-11-12-18-39(38)44(40)42)47(34-15-9-6-10-16-34)36-25-21-32(2)22-26-36/h11-30H,1-10H3;4-23H,1-2H3;3-28H,1-2H3;5-30H,1-4H3.

What are the key properties of 4-(N-[5-(4-cyano-N-(4-cyano-3-fluorophenyl)-3-fluoroanilino)-7,7-dimethylbenzo[g]fluoren-9-yl]-3-fluoro-4-isocyanoanilino)-2-fluorobenzonitrile;4-(N-[5-(N-(4-cyanophenyl)anilino)-7,7-dimethylbenzo[g]fluoren-9-yl]anilino)benzonitrile;7,7-dimethyl-5-N,9-N-bis(4-methylphenyl)-5-N,9-N-diphenylbenzo[c]fluorene-5,9-diamine;5-N,5-N,9-N,9-N-tetrakis(3,5-dimethylphenyl)-7,7-dimethylbenzo[c]fluorene-5,9-diamine?

4-(N-[5-(4-cyano-N-(4-cyano-3-fluorophenyl)-3-fluoroanilino)-7,7-dimethylbenzo[g]fluoren-9-yl]-3-fluoro-4-isocyanoanilino)-2-fluorobenzonitrile;4-(N-[5-(N-(4-cyanophenyl)anilino)-7,7-dimethylbenzo[g]fluoren-9-yl]anilino)benzonitrile;7,7-dimethyl-5-N,9-N-bis(4-methylphenyl)-5-N,9-N-diphenylbenzo[c]fluorene-5,9-diamine;5-N,5-N,9-N,9-N-tetrakis(3,5-dimethylphenyl)-7,7-dimethylbenzo[c]fluorene-5,9-diamine has a molecular weight of 2677.33 g/mol, XLogP of 51.89, 24 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(N-[5-(4-cyano-N-(4-cyano-3-fluorophenyl)-3-fluoroanilino)-7,7-dimethylbenzo[g]fluoren-9-yl]-3-fluoro-4-isocyanoanilino)-2-fluorobenzonitrile;4-(N-[5-(N-(4-cyanophenyl)anilino)-7,7-dimethylbenzo[g]fluoren-9-yl]anilino)benzonitrile;7,7-dimethyl-5-N,9-N-bis(4-methylphenyl)-5-N,9-N-diphenylbenzo[c]fluorene-5,9-diamine;5-N,5-N,9-N,9-N-tetrakis(3,5-dimethylphenyl)-7,7-dimethylbenzo[c]fluorene-5,9-diamine is sourced from PubChem (CID 165093256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).