2-N,7-N-bis(2,6-diethylphenyl)-9,9-dimethyl-2-N,7-N-bis(4-methylphenyl)fluorene-2,7-diamine;9,9-dimethyl-2-N,7-N-bis(4-methylphenyl)-2-N,7-N-bis(2,4,6-trifluorophenyl)fluorene-2,7-diamine;9,9-dimethyl-2-N,7-N-bis(4-methylphenyl)-2-N,7-N-bis(2,4,6-trimethylphenyl)fluorene-2,7-diamine;4-(N-[7-(N-(4-isocyanophenyl)-4-methylanilino)-9,9-dimethylfluoren-2-yl]-4-methylanilino)benzonitrile

C180H164F6N10 — CID 158768757

IUPAC2-N,7-N-bis(2,6-diethylphenyl)-9,9-dimethyl-2-N,7-N-bis(4-methylphenyl)fluorene-2,7-diamine;9,9-dimethyl-2-N,7-N-bis(4-methylphenyl)-2-N,7-N-bis(2,4,6-trifluorophenyl)fluorene-2,7-diamine;9,9-dimethyl-2-N,7-N-bis(4-methylphenyl)-2-N,7-N-bis(2,4,6-trimethylphenyl)fluorene-2,7-diamine;4-(N-[7-(N-(4-isocyanophenyl)-4-methylanilino)-9,9-dimethylfluoren-2-yl]-4-methylanilino)benzonitrile
SMILESCCc1cccc(CC)c1N(c1ccc(C)cc1)c1ccc2c(c1)C(C)(C)c1cc(N(c3ccc(C)cc3)c3c(CC)cccc3CC)ccc1-2.Cc1ccc(N(c2ccc3c(c2)C(C)(C)c2cc(N(c4ccc(C)cc4)c4c(C)cc(C)cc4C)ccc2-3)c2c(C)cc(C)cc2C)cc1.Cc1ccc(N(c2ccc3c(c2)C(C)(C)c2cc(N(c4ccc(C)cc4)c4c(F)cc(F)cc4F)ccc2-3)c2c(F)cc(F)cc2F)cc1.[C-]#[N+]c1ccc(N(c2ccc(C)cc2)c2ccc3c(c2)C(C)(C)c2cc(N(c4ccc(C)cc4)c4ccc(C#N)cc4)ccc2-3)cc1
InChIInChI=1S/C49H52N2.C47H48N2.C43H34N4.C41H30F6N2/c1-9-35-15-13-16-36(10-2)47(35)50(39-23-19-33(5)20-24-39)41-27-29-43-44-30-28-42(32-46(44)49(7,8)45(43)31-41)51(40-25-21-34(6)22-26-40)48-37(11-3)17-14-18-38(48)12-4;1-29-11-15-37(16-12-29)48(45-33(5)23-31(3)24-34(45)6)39-19-21-41-42-22-20-40(28-44(42)47(9,10)43(41)27-39)49(38-17-13-30(2)14-18-38)46-35(7)25-32(4)26-36(46)8;1-29-6-14-33(15-7-29)46(35-18-10-31(28-44)11-19-35)37-22-24-39-40-25-23-38(27-42(40)43(3,4)41(39)26-37)47(34-16-8-30(2)9-17-34)36-20-12-32(45-5)13-21-36;1-23-5-9-27(10-6-23)48(39-35(44)17-25(42)18-36(39)45)29-13-15-31-32-16-14-30(22-34(32)41(3,4)33(31)21-29)49(28-11-7-24(2)8-12-28)40-37(46)19-26(43)20-38(40)47/h13-32H,9-12H2,1-8H3;11-28H,1-10H3;6-27H,1-4H3;5-22H,1-4H3
InChIKeyIPPFNBBMIRGBSK-UHFFFAOYSA-N
MW2581.35 g/mol
LogP51.55
Rot. Bonds28

About 2-N,7-N-bis(2,6-diethylphenyl)-9,9-dimethyl-2-N,7-N-bis(4-methylphenyl)fluorene-2,7-diamine;9,9-dimethyl-2-N,7-N-bis(4-methylphenyl)-2-N,7-N-bis(2,4,6-trifluorophenyl)fluorene-2,7-diamine;9,9-dimethyl-2-N,7-N-bis(4-methylphenyl)-2-N,7-N-bis(2,4,6-trimethylphenyl)fluorene-2,7-diamine;4-(N-[7-(N-(4-isocyanophenyl)-4-methylanilino)-9,9-dimethylfluoren-2-yl]-4-methylanilino)benzonitrile

2-N,7-N-bis(2,6-diethylphenyl)-9,9-dimethyl-2-N,7-N-bis(4-methylphenyl)fluorene-2,7-diamine;9,9-dimethyl-2-N,7-N-bis(4-methylphenyl)-2-N,7-N-bis(2,4,6-trifluorophenyl)fluorene-2,7-diamine;9,9-dimethyl-2-N,7-N-bis(4-methylphenyl)-2-N,7-N-bis(2,4,6-trimethylphenyl)fluorene-2,7-diamine;4-(N-[7-(N-(4-isocyanophenyl)-4-methylanilino)-9,9-dimethylfluoren-2-yl]-4-methylanilino)benzonitrile (PubChem CID 158768757) has the molecular formula C180H164F6N10 and a molecular weight of 2581.35 g/mol. Its IUPAC name is 2-N,7-N-bis(2,6-diethylphenyl)-9,9-dimethyl-2-N,7-N-bis(4-methylphenyl)fluorene-2,7-diamine;9,9-dimethyl-2-N,7-N-bis(4-methylphenyl)-2-N,7-N-bis(2,4,6-trifluorophenyl)fluorene-2,7-diamine;9,9-dimethyl-2-N,7-N-bis(4-methylphenyl)-2-N,7-N-bis(2,4,6-trimethylphenyl)fluorene-2,7-diamine;4-(N-[7-(N-(4-isocyanophenyl)-4-methylanilino)-9,9-dimethylfluoren-2-yl]-4-methylanilino)benzonitrile.

Molecular Properties

Compound Name2-N,7-N-bis(2,6-diethylphenyl)-9,9-dimethyl-2-N,7-N-bis(4-methylphenyl)fluorene-2,7-diamine;9,9-dimethyl-2-N,7-N-bis(4-methylphenyl)-2-N,7-N-bis(2,4,6-trifluorophenyl)fluorene-2,7-diamine;9,9-dimethyl-2-N,7-N-bis(4-methylphenyl)-2-N,7-N-bis(2,4,6-trimethylphenyl)fluorene-2,7-diamine;4-(N-[7-(N-(4-isocyanophenyl)-4-methylanilino)-9,9-dimethylfluoren-2-yl]-4-methylanilino)benzonitrile
PubChem CID158768757
Molecular FormulaC180H164F6N10
Molecular Weight2581.35 g/mol
Exact Mass2579.30
IUPAC Name2-N,7-N-bis(2,6-diethylphenyl)-9,9-dimethyl-2-N,7-N-bis(4-methylphenyl)fluorene-2,7-diamine;9,9-dimethyl-2-N,7-N-bis(4-methylphenyl)-2-N,7-N-bis(2,4,6-trifluorophenyl)fluorene-2,7-diamine;9,9-dimethyl-2-N,7-N-bis(4-methylphenyl)-2-N,7-N-bis(2,4,6-trimethylphenyl)fluorene-2,7-diamine;4-(N-[7-(N-(4-isocyanophenyl)-4-methylanilino)-9,9-dimethylfluoren-2-yl]-4-methylanilino)benzonitrile
SMILESCCc1cccc(CC)c1N(c1ccc(C)cc1)c1ccc2c(c1)C(C)(C)c1cc(N(c3ccc(C)cc3)c3c(CC)cccc3CC)ccc1-2.Cc1ccc(N(c2ccc3c(c2)C(C)(C)c2cc(N(c4ccc(C)cc4)c4c(C)cc(C)cc4C)ccc2-3)c2c(C)cc(C)cc2C)cc1.Cc1ccc(N(c2ccc3c(c2)C(C)(C)c2cc(N(c4ccc(C)cc4)c4c(F)cc(F)cc4F)ccc2-3)c2c(F)cc(F)cc2F)cc1.[C-]#[N+]c1ccc(N(c2ccc(C)cc2)c2ccc3c(c2)C(C)(C)c2cc(N(c4ccc(C)cc4)c4ccc(C#N)cc4)ccc2-3)cc1
InChIInChI=1S/C49H52N2.C47H48N2.C43H34N4.C41H30F6N2/c1-9-35-15-13-16-36(10-2)47(35)50(39-23-19-33(5)20-24-39)41-27-29-43-44-30-28-42(32-46(44)49(7,8)45(43)31-41)51(40-25-21-34(6)22-26-40)48-37(11-3)17-14-18-38(48)12-4;1-29-11-15-37(16-12-29)48(45-33(5)23-31(3)24-34(45)6)39-19-21-41-42-22-20-40(28-44(42)47(9,10)43(41)27-39)49(38-17-13-30(2)14-18-38)46-35(7)25-32(4)26-36(46)8;1-29-6-14-33(15-7-29)46(35-18-10-31(28-44)11-19-35)37-22-24-39-40-25-23-38(27-42(40)43(3,4)41(39)26-37)47(34-16-8-30(2)9-17-34)36-20-12-32(45-5)13-21-36;1-23-5-9-27(10-6-23)48(39-35(44)17-25(42)18-36(39)45)29-13-15-31-32-16-14-30(22-34(32)41(3,4)33(31)21-29)49(28-11-7-24(2)8-12-28)40-37(46)19-26(43)20-38(40)47/h13-32H,9-12H2,1-8H3;11-28H,1-10H3;6-27H,1-4H3;5-22H,1-4H3
InChIKeyIPPFNBBMIRGBSK-UHFFFAOYSA-N
XLogP51.55
TPSA54.07 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds28
Heavy Atoms196
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002581.35
LogP ≤ 551.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 2-N,7-N-bis(2,6-diethylphenyl)-9,9-dimethyl-2-N,7-N-bis(4-methylphenyl)fluorene-2,7-diamine;9,9-dimethyl-2-N,7-N-bis(4-methylphenyl)-2-N,7-N-bis(2,4,6-trifluorophenyl)fluorene-2,7-diamine;9,9-dimethyl-2-N,7-N-bis(4-methylphenyl)-2-N,7-N-bis(2,4,6-trimethylphenyl)fluorene-2,7-diamine;4-(N-[7-(N-(4-isocyanophenyl)-4-methylanilino)-9,9-dimethylfluoren-2-yl]-4-methylanilino)benzonitrile with MolForge

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Related Compounds

4-[(9,9-dimethylfluoren-2-yl)-[7-[(E)-2-[4-[(E)-2-[7-(N-(9,9-dimethylfluoren-2-yl)-4-isocyanoanilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]amino]benzonitrile
CID 59245949
2-N,7-N-bis(4-tert-butylphenyl)-9,9-dimethyl-2-N,7-N-dinaphthalen-1-ylfluorene-2,7-diamine;9,9-dimethyl-2-N,7-N-bis(3-methylphenyl)-2-N,7-N-diphenylfluorene-2,7-diamine;9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylfluorene-2,7-diamine;9,9-dimethyl-2-N,7-N-dinaphthalen-2-yl-2-N,7-N-diphenylfluorene-2,7-diamine;9,9-dimethyl-2-N,2-N,7-N,7-N-tetraphenylfluorene-2,7-diamine;4-[[7-(4-isocyano-N-naphthalen-2-ylanilino)-9,9-dimethylfluoren-2-yl]-naphthalen-2-ylamino]benzonitrile;9-N,9-N,10-N,10-N-tetrakis(4-tert-butylphenyl)anthracene-9,10-diamine;9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)anthracene-9,10-diamine;9-N,9-N,10-N,10-N-tetranaphthalen-2-ylanthracene-9,10-diamine;9-N,9-N,10-N,10-N-tetraphenylanthracene-9,10-diamine
CID 157351756
4-(4-cyano-N-[2-(4-isocyano-N-(4-isocyanophenyl)anilino)-4,7,11,11,12,12-hexamethylindeno[2,1-a]fluoren-9-yl]anilino)benzonitrile
CID 58232288
4-(N-[2-(N-(4-isocyanophenyl)anilino)-11,11-dimethylbenzo[b]fluoren-8-yl]-4-phenylanilino)benzonitrile
CID 140926370
4-[(9,9-diphenylfluoren-2-yl)-[4-[4-(N-(9,9-diphenylfluoren-2-yl)-4-isocyanoanilino)phenyl]naphthalen-1-yl]amino]benzonitrile;N-[4-[4-(N-(9,9-diphenylfluoren-2-yl)-4-fluoroanilino)naphthalen-1-yl]phenyl]-N-(4-fluorophenyl)-9,9-diphenylfluoren-2-amine;N-[4-[4-(N-(9,9-diphenylfluoren-2-yl)-4-methylanilino)naphthalen-1-yl]phenyl]-N-(4-methylphenyl)-9,9-diphenylfluoren-2-amine;N-[4-[4-[(9,9-diphenylfluoren-2-yl)-naphthalen-1-ylamino]naphthalen-1-yl]phenyl]-N-naphthalen-1-yl-9,9-diphenylfluoren-2-amine
CID 158388851
4-(N-[5-(N-(4-isocyanophenyl)anilino)-7,7-dimethylbenzo[g]fluoren-9-yl]anilino)benzonitrile
CID 140722420
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
4-(N-[6-(N-(3,5-dimethylphenyl)-4-isocyanoanilino)-3,8-diethylpyren-1-yl]-3,5-dimethylanilino)benzonitrile
CID 58050664
4-[2-(N-(9,9-dimethylfluoren-2-yl)-2-phenylanilino)-9-(4-isocyanophenyl)fluoren-9-yl]benzonitrile
CID 123615196
4-(N-[9-(4-cyano-N-(4-fluorophenyl)anilino)-11,11-dimethylbenzo[a]fluoren-3-yl]-4-fluoroanilino)benzonitrile
CID 166964858
6,6,12,12-tetramethyl-2-N,2-N,8-N,8-N-tetrakis(4-methylphenyl)indeno[1,2-b]fluorene-2,8-diamine
CID 59800971
4-[4-(4-cyano-N-[4-(4-isocyanophenyl)phenyl]anilino)phenyl]benzonitrile
CID 169061616

Frequently Asked Questions

What is the IUPAC name of 2-N,7-N-bis(2,6-diethylphenyl)-9,9-dimethyl-2-N,7-N-bis(4-methylphenyl)fluorene-2,7-diamine;9,9-dimethyl-2-N,7-N-bis(4-methylphenyl)-2-N,7-N-bis(2,4,6-trifluorophenyl)fluorene-2,7-diamine;9,9-dimethyl-2-N,7-N-bis(4-methylphenyl)-2-N,7-N-bis(2,4,6-trimethylphenyl)fluorene-2,7-diamine;4-(N-[7-(N-(4-isocyanophenyl)-4-methylanilino)-9,9-dimethylfluoren-2-yl]-4-methylanilino)benzonitrile?
The IUPAC name of 2-N,7-N-bis(2,6-diethylphenyl)-9,9-dimethyl-2-N,7-N-bis(4-methylphenyl)fluorene-2,7-diamine;9,9-dimethyl-2-N,7-N-bis(4-methylphenyl)-2-N,7-N-bis(2,4,6-trifluorophenyl)fluorene-2,7-diamine;9,9-dimethyl-2-N,7-N-bis(4-methylphenyl)-2-N,7-N-bis(2,4,6-trimethylphenyl)fluorene-2,7-diamine;4-(N-[7-(N-(4-isocyanophenyl)-4-methylanilino)-9,9-dimethylfluoren-2-yl]-4-methylanilino)benzonitrile (CID 158768757) is 2-N,7-N-bis(2,6-diethylphenyl)-9,9-dimethyl-2-N,7-N-bis(4-methylphenyl)fluorene-2,7-diamine;9,9-dimethyl-2-N,7-N-bis(4-methylphenyl)-2-N,7-N-bis(2,4,6-trifluorophenyl)fluorene-2,7-diamine;9,9-dimethyl-2-N,7-N-bis(4-methylphenyl)-2-N,7-N-bis(2,4,6-trimethylphenyl)fluorene-2,7-diamine;4-(N-[7-(N-(4-isocyanophenyl)-4-methylanilino)-9,9-dimethylfluoren-2-yl]-4-methylanilino)benzonitrile.
What is the SMILES notation for 2-N,7-N-bis(2,6-diethylphenyl)-9,9-dimethyl-2-N,7-N-bis(4-methylphenyl)fluorene-2,7-diamine;9,9-dimethyl-2-N,7-N-bis(4-methylphenyl)-2-N,7-N-bis(2,4,6-trifluorophenyl)fluorene-2,7-diamine;9,9-dimethyl-2-N,7-N-bis(4-methylphenyl)-2-N,7-N-bis(2,4,6-trimethylphenyl)fluorene-2,7-diamine;4-(N-[7-(N-(4-isocyanophenyl)-4-methylanilino)-9,9-dimethylfluoren-2-yl]-4-methylanilino)benzonitrile?
The canonical SMILES for 2-N,7-N-bis(2,6-diethylphenyl)-9,9-dimethyl-2-N,7-N-bis(4-methylphenyl)fluorene-2,7-diamine;9,9-dimethyl-2-N,7-N-bis(4-methylphenyl)-2-N,7-N-bis(2,4,6-trifluorophenyl)fluorene-2,7-diamine;9,9-dimethyl-2-N,7-N-bis(4-methylphenyl)-2-N,7-N-bis(2,4,6-trimethylphenyl)fluorene-2,7-diamine;4-(N-[7-(N-(4-isocyanophenyl)-4-methylanilino)-9,9-dimethylfluoren-2-yl]-4-methylanilino)benzonitrile is CCc1cccc(CC)c1N(c1ccc(C)cc1)c1ccc2c(c1)C(C)(C)c1cc(N(c3ccc(C)cc3)c3c(CC)cccc3CC)ccc1-2.Cc1ccc(N(c2ccc3c(c2)C(C)(C)c2cc(N(c4ccc(C)cc4)c4c(C)cc(C)cc4C)ccc2-3)c2c(C)cc(C)cc2C)cc1.Cc1ccc(N(c2ccc3c(c2)C(C)(C)c2cc(N(c4ccc(C)cc4)c4c(F)cc(F)cc4F)ccc2-3)c2c(F)cc(F)cc2F)cc1.[C-]#[N+]c1ccc(N(c2ccc(C)cc2)c2ccc3c(c2)C(C)(C)c2cc(N(c4ccc(C)cc4)c4ccc(C#N)cc4)ccc2-3)cc1.
What is the InChIKey of 2-N,7-N-bis(2,6-diethylphenyl)-9,9-dimethyl-2-N,7-N-bis(4-methylphenyl)fluorene-2,7-diamine;9,9-dimethyl-2-N,7-N-bis(4-methylphenyl)-2-N,7-N-bis(2,4,6-trifluorophenyl)fluorene-2,7-diamine;9,9-dimethyl-2-N,7-N-bis(4-methylphenyl)-2-N,7-N-bis(2,4,6-trimethylphenyl)fluorene-2,7-diamine;4-(N-[7-(N-(4-isocyanophenyl)-4-methylanilino)-9,9-dimethylfluoren-2-yl]-4-methylanilino)benzonitrile?
The InChIKey is IPPFNBBMIRGBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H52N2.C47H48N2.C43H34N4.C41H30F6N2/c1-9-35-15-13-16-36(10-2)47(35)50(39-23-19-33(5)20-24-39)41-27-29-43-44-30-28-42(32-46(44)49(7,8)45(43)31-41)51(40-25-21-34(6)22-26-40)48-37(11-3)17-14-18-38(48)12-4;1-29-11-15-37(16-12-29)48(45-33(5)23-31(3)24-34(45)6)39-19-21-41-42-22-20-40(28-44(42)47(9,10)43(41)27-39)49(38-17-13-30(2)14-18-38)46-35(7)25-32(4)26-36(46)8;1-29-6-14-33(15-7-29)46(35-18-10-31(28-44)11-19-35)37-22-24-39-40-25-23-38(27-42(40)43(3,4)41(39)26-37)47(34-16-8-30(2)9-17-34)36-20-12-32(45-5)13-21-36;1-23-5-9-27(10-6-23)48(39-35(44)17-25(42)18-36(39)45)29-13-15-31-32-16-14-30(22-34(32)41(3,4)33(31)21-29)49(28-11-7-24(2)8-12-28)40-37(46)19-26(43)20-38(40)47/h13-32H,9-12H2,1-8H3;11-28H,1-10H3;6-27H,1-4H3;5-22H,1-4H3.
What are the key properties of 2-N,7-N-bis(2,6-diethylphenyl)-9,9-dimethyl-2-N,7-N-bis(4-methylphenyl)fluorene-2,7-diamine;9,9-dimethyl-2-N,7-N-bis(4-methylphenyl)-2-N,7-N-bis(2,4,6-trifluorophenyl)fluorene-2,7-diamine;9,9-dimethyl-2-N,7-N-bis(4-methylphenyl)-2-N,7-N-bis(2,4,6-trimethylphenyl)fluorene-2,7-diamine;4-(N-[7-(N-(4-isocyanophenyl)-4-methylanilino)-9,9-dimethylfluoren-2-yl]-4-methylanilino)benzonitrile?
2-N,7-N-bis(2,6-diethylphenyl)-9,9-dimethyl-2-N,7-N-bis(4-methylphenyl)fluorene-2,7-diamine;9,9-dimethyl-2-N,7-N-bis(4-methylphenyl)-2-N,7-N-bis(2,4,6-trifluorophenyl)fluorene-2,7-diamine;9,9-dimethyl-2-N,7-N-bis(4-methylphenyl)-2-N,7-N-bis(2,4,6-trimethylphenyl)fluorene-2,7-diamine;4-(N-[7-(N-(4-isocyanophenyl)-4-methylanilino)-9,9-dimethylfluoren-2-yl]-4-methylanilino)benzonitrile has a molecular weight of 2581.35 g/mol, XLogP of 51.55, 28 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,7-N-bis(2,6-diethylphenyl)-9,9-dimethyl-2-N,7-N-bis(4-methylphenyl)fluorene-2,7-diamine;9,9-dimethyl-2-N,7-N-bis(4-methylphenyl)-2-N,7-N-bis(2,4,6-trifluorophenyl)fluorene-2,7-diamine;9,9-dimethyl-2-N,7-N-bis(4-methylphenyl)-2-N,7-N-bis(2,4,6-trimethylphenyl)fluorene-2,7-diamine;4-(N-[7-(N-(4-isocyanophenyl)-4-methylanilino)-9,9-dimethylfluoren-2-yl]-4-methylanilino)benzonitrile is sourced from PubChem (CID 158768757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).