9,9-dihexyl-N-methyl-N-[4-(4-methylphenyl)phenyl]fluoren-2-amine;N-[4-[2,5-dimethyl-4-(4-methylphenyl)phenyl]phenyl]-3-hexoxy-N-methylaniline;3-ethyl-N-methyl-N-[4-[6-(4-methylphenyl)-9,10-diphenylanthracen-2-yl]phenyl]aniline;4-hexyl-N-methyl-N-[4-[7-(4-methylphenyl)phenanthren-2-yl]phenyl]aniline

C161H164N4O — CID 160823883

IUPAC9,9-dihexyl-N-methyl-N-[4-(4-methylphenyl)phenyl]fluoren-2-amine;N-[4-[2,5-dimethyl-4-(4-methylphenyl)phenyl]phenyl]-3-hexoxy-N-methylaniline;3-ethyl-N-methyl-N-[4-[6-(4-methylphenyl)-9,10-diphenylanthracen-2-yl]phenyl]aniline;4-hexyl-N-methyl-N-[4-[7-(4-methylphenyl)phenanthren-2-yl]phenyl]aniline
SMILESCCCCCCC1(CCCCCC)c2ccccc2-c2ccc(N(C)c3ccc(-c4ccc(C)cc4)cc3)cc21.CCCCCCOc1cccc(N(C)c2ccc(-c3cc(C)c(-c4ccc(C)cc4)cc3C)cc2)c1.CCCCCCc1ccc(N(C)c2ccc(-c3ccc4c(ccc5cc(-c6ccc(C)cc6)ccc54)c3)cc2)cc1.CCc1cccc(N(C)c2ccc(-c3ccc4c(-c5ccccc5)c5cc(-c6ccc(C)cc6)ccc5c(-c5ccccc5)c4c3)cc2)c1
InChIInChI=1S/C48H39N.C40H39N.C39H47N.C34H39NO/c1-4-34-12-11-17-42(30-34)49(3)41-26-22-36(23-27-41)40-25-29-44-46(32-40)48(38-15-9-6-10-16-38)43-28-24-39(35-20-18-33(2)19-21-35)31-45(43)47(44)37-13-7-5-8-14-37;1-4-5-6-7-8-30-11-21-37(22-12-30)41(3)38-23-17-32(18-24-38)34-20-26-40-36(28-34)16-15-35-27-33(19-25-39(35)40)31-13-9-29(2)10-14-31;1-5-7-9-13-27-39(28-14-10-8-6-2)37-16-12-11-15-35(37)36-26-25-34(29-38(36)39)40(4)33-23-21-32(22-24-33)31-19-17-30(3)18-20-31;1-6-7-8-9-21-36-32-12-10-11-31(24-32)35(5)30-19-17-29(18-20-30)34-23-26(3)33(22-27(34)4)28-15-13-25(2)14-16-28/h5-32H,4H2,1-3H3;9-28H,4-8H2,1-3H3;11-12,15-26,29H,5-10,13-14,27-28H2,1-4H3;10-20,22-24H,6-9,21H2,1-5H3
InChIKeySFXCGDGXABNVAC-UHFFFAOYSA-N
MW2171.11 g/mol
LogP46.14
Rot. Bonds39

About 9,9-dihexyl-N-methyl-N-[4-(4-methylphenyl)phenyl]fluoren-2-amine;N-[4-[2,5-dimethyl-4-(4-methylphenyl)phenyl]phenyl]-3-hexoxy-N-methylaniline;3-ethyl-N-methyl-N-[4-[6-(4-methylphenyl)-9,10-diphenylanthracen-2-yl]phenyl]aniline;4-hexyl-N-methyl-N-[4-[7-(4-methylphenyl)phenanthren-2-yl]phenyl]aniline

9,9-dihexyl-N-methyl-N-[4-(4-methylphenyl)phenyl]fluoren-2-amine;N-[4-[2,5-dimethyl-4-(4-methylphenyl)phenyl]phenyl]-3-hexoxy-N-methylaniline;3-ethyl-N-methyl-N-[4-[6-(4-methylphenyl)-9,10-diphenylanthracen-2-yl]phenyl]aniline;4-hexyl-N-methyl-N-[4-[7-(4-methylphenyl)phenanthren-2-yl]phenyl]aniline (PubChem CID 160823883) has the molecular formula C161H164N4O and a molecular weight of 2171.11 g/mol. Its IUPAC name is 9,9-dihexyl-N-methyl-N-[4-(4-methylphenyl)phenyl]fluoren-2-amine;N-[4-[2,5-dimethyl-4-(4-methylphenyl)phenyl]phenyl]-3-hexoxy-N-methylaniline;3-ethyl-N-methyl-N-[4-[6-(4-methylphenyl)-9,10-diphenylanthracen-2-yl]phenyl]aniline;4-hexyl-N-methyl-N-[4-[7-(4-methylphenyl)phenanthren-2-yl]phenyl]aniline.

Molecular Properties

Compound Name9,9-dihexyl-N-methyl-N-[4-(4-methylphenyl)phenyl]fluoren-2-amine;N-[4-[2,5-dimethyl-4-(4-methylphenyl)phenyl]phenyl]-3-hexoxy-N-methylaniline;3-ethyl-N-methyl-N-[4-[6-(4-methylphenyl)-9,10-diphenylanthracen-2-yl]phenyl]aniline;4-hexyl-N-methyl-N-[4-[7-(4-methylphenyl)phenanthren-2-yl]phenyl]aniline
PubChem CID160823883
Molecular FormulaC161H164N4O
Molecular Weight2171.11 g/mol
Exact Mass2169.29
IUPAC Name9,9-dihexyl-N-methyl-N-[4-(4-methylphenyl)phenyl]fluoren-2-amine;N-[4-[2,5-dimethyl-4-(4-methylphenyl)phenyl]phenyl]-3-hexoxy-N-methylaniline;3-ethyl-N-methyl-N-[4-[6-(4-methylphenyl)-9,10-diphenylanthracen-2-yl]phenyl]aniline;4-hexyl-N-methyl-N-[4-[7-(4-methylphenyl)phenanthren-2-yl]phenyl]aniline
SMILESCCCCCCC1(CCCCCC)c2ccccc2-c2ccc(N(C)c3ccc(-c4ccc(C)cc4)cc3)cc21.CCCCCCOc1cccc(N(C)c2ccc(-c3cc(C)c(-c4ccc(C)cc4)cc3C)cc2)c1.CCCCCCc1ccc(N(C)c2ccc(-c3ccc4c(ccc5cc(-c6ccc(C)cc6)ccc54)c3)cc2)cc1.CCc1cccc(N(C)c2ccc(-c3ccc4c(-c5ccccc5)c5cc(-c6ccc(C)cc6)ccc5c(-c5ccccc5)c4c3)cc2)c1
InChIInChI=1S/C48H39N.C40H39N.C39H47N.C34H39NO/c1-4-34-12-11-17-42(30-34)49(3)41-26-22-36(23-27-41)40-25-29-44-46(32-40)48(38-15-9-6-10-16-38)43-28-24-39(35-20-18-33(2)19-21-35)31-45(43)47(44)37-13-7-5-8-14-37;1-4-5-6-7-8-30-11-21-37(22-12-30)41(3)38-23-17-32(18-24-38)34-20-26-40-36(28-34)16-15-35-27-33(19-25-39(35)40)31-13-9-29(2)10-14-31;1-5-7-9-13-27-39(28-14-10-8-6-2)37-16-12-11-15-35(37)36-26-25-34(29-38(36)39)40(4)33-23-21-32(22-24-33)31-19-17-30(3)18-20-31;1-6-7-8-9-21-36-32-12-10-11-31(24-32)35(5)30-19-17-29(18-20-30)34-23-26(3)33(22-27(34)4)28-15-13-25(2)14-16-28/h5-32H,4H2,1-3H3;9-28H,4-8H2,1-3H3;11-12,15-26,29H,5-10,13-14,27-28H2,1-4H3;10-20,22-24H,6-9,21H2,1-5H3
InChIKeySFXCGDGXABNVAC-UHFFFAOYSA-N
XLogP46.14
TPSA22.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds39
Heavy Atoms166
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002171.11
LogP ≤ 546.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 9,9-dihexyl-N-methyl-N-[4-(4-methylphenyl)phenyl]fluoren-2-amine;N-[4-[2,5-dimethyl-4-(4-methylphenyl)phenyl]phenyl]-3-hexoxy-N-methylaniline;3-ethyl-N-methyl-N-[4-[6-(4-methylphenyl)-9,10-diphenylanthracen-2-yl]phenyl]aniline;4-hexyl-N-methyl-N-[4-[7-(4-methylphenyl)phenanthren-2-yl]phenyl]aniline with MolForge

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Related Compounds

9,9-dihexyl-N,7-dimethyl-N-phenylfluoren-2-amine;9,9-dihexyl-N-methyl-N-[4-[10-(4-methylphenyl)anthracen-9-yl]phenyl]fluoren-2-amine;9,9-dihexyl-N-methyl-N-[4-(4-methylphenyl)phenyl]fluoren-2-amine;4-[9,9-dihexyl-7-(4-methylphenyl)fluoren-2-yl]-N-methyl-N-phenylaniline;N-methyl-N-[4-(4-methylphenyl)phenyl]-4-octylaniline
CID 161002521
9,9-dihexyl-N,7-dimethyl-N-phenylfluoren-2-amine;9,9-dihexyl-N-methyl-N-[4-[10-(4-methylphenyl)anthracen-9-yl]phenyl]fluoren-2-amine;4-[9,9-dihexyl-7-(4-methylphenyl)fluoren-2-yl]-N-methyl-N-phenylaniline;N-methyl-N-[4-(4-methylphenyl)phenyl]-4-octylaniline
CID 161230667
N-[4-[10-[4-(N-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]anilino)phenyl]anthracen-9-yl]phenyl]-9,9-dihexyl-N-[4-[10-(4-methylphenyl)anthracen-9-yl]phenyl]fluoren-2-amine
CID 89393937
3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-N-[4-(9,9-dihexyl-7-methylfluoren-2-yl)phenyl]-N-methylaniline
CID 58250969
N-(9,9-dihexylfluoren-2-yl)-9,9-dihexyl-N,7-dimethylfluoren-2-amine
CID 58151400
9,9-dihexyl-N,7-dimethyl-N-phenylfluoren-2-amine
CID 58151350
3-(4-hexylphenyl)-N-methyl-N-(4-methylphenyl)aniline
CID 163613245
9,10-bis(9-phenylphenanthren-3-yl)anthracene;2,10-diphenyl-9-(9-phenylphenanthren-3-yl)anthracene;3-[10-(1,1,2,2,3,3-hexamethylinden-5-yl)anthracen-9-yl]-9-phenylphenanthrene;9-(4-hexylphenyl)-3-(10-phenylanthracen-9-yl)phenanthrene;methane;9-phenyl-3-[10-[4-[10-(9-phenylphenanthren-3-yl)anthracen-9-yl]naphthalen-1-yl]anthracen-9-yl]phenanthrene
CID 159717513
[4-[4-(N-(9,9-dioctylfluoren-2-yl)-3-methylanilino)phenyl]phenyl]methanol
CID 139983913
N-[4-[4-[N-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]anilino]phenyl]phenyl]-9,9-dihexyl-N-phenylfluoren-2-amine
CID 58389511
9-methylanthracene;2-methyl-9,9-dioctylfluorene;1-methylnaphthalene;1-methyl-5-naphthalen-1-ylnaphthalene;2-methyl-6-phenylanthracene;9-(4-methylphenyl)anthracene;9-methyl-10-phenylanthracene;1-methyl-4-phenylbenzene;1-(4-methylphenyl)naphthalene;1-methyl-4-phenylnaphthalene;1-methyl-5-phenylnaphthalene;2-methyl-6-phenylnaphthalene;toluene
CID 158882510
N-[4-(9,9-didodecyl-3,7-dimethylfluoren-2-yl)phenyl]-4-methyl-N-[4-[9-[9-(4-pentylphenyl)carbazol-2-yl]carbazol-2-yl]phenyl]aniline
CID 177287449

Frequently Asked Questions

What is the IUPAC name of 9,9-dihexyl-N-methyl-N-[4-(4-methylphenyl)phenyl]fluoren-2-amine;N-[4-[2,5-dimethyl-4-(4-methylphenyl)phenyl]phenyl]-3-hexoxy-N-methylaniline;3-ethyl-N-methyl-N-[4-[6-(4-methylphenyl)-9,10-diphenylanthracen-2-yl]phenyl]aniline;4-hexyl-N-methyl-N-[4-[7-(4-methylphenyl)phenanthren-2-yl]phenyl]aniline?
The IUPAC name of 9,9-dihexyl-N-methyl-N-[4-(4-methylphenyl)phenyl]fluoren-2-amine;N-[4-[2,5-dimethyl-4-(4-methylphenyl)phenyl]phenyl]-3-hexoxy-N-methylaniline;3-ethyl-N-methyl-N-[4-[6-(4-methylphenyl)-9,10-diphenylanthracen-2-yl]phenyl]aniline;4-hexyl-N-methyl-N-[4-[7-(4-methylphenyl)phenanthren-2-yl]phenyl]aniline (CID 160823883) is 9,9-dihexyl-N-methyl-N-[4-(4-methylphenyl)phenyl]fluoren-2-amine;N-[4-[2,5-dimethyl-4-(4-methylphenyl)phenyl]phenyl]-3-hexoxy-N-methylaniline;3-ethyl-N-methyl-N-[4-[6-(4-methylphenyl)-9,10-diphenylanthracen-2-yl]phenyl]aniline;4-hexyl-N-methyl-N-[4-[7-(4-methylphenyl)phenanthren-2-yl]phenyl]aniline.
What is the SMILES notation for 9,9-dihexyl-N-methyl-N-[4-(4-methylphenyl)phenyl]fluoren-2-amine;N-[4-[2,5-dimethyl-4-(4-methylphenyl)phenyl]phenyl]-3-hexoxy-N-methylaniline;3-ethyl-N-methyl-N-[4-[6-(4-methylphenyl)-9,10-diphenylanthracen-2-yl]phenyl]aniline;4-hexyl-N-methyl-N-[4-[7-(4-methylphenyl)phenanthren-2-yl]phenyl]aniline?
The canonical SMILES for 9,9-dihexyl-N-methyl-N-[4-(4-methylphenyl)phenyl]fluoren-2-amine;N-[4-[2,5-dimethyl-4-(4-methylphenyl)phenyl]phenyl]-3-hexoxy-N-methylaniline;3-ethyl-N-methyl-N-[4-[6-(4-methylphenyl)-9,10-diphenylanthracen-2-yl]phenyl]aniline;4-hexyl-N-methyl-N-[4-[7-(4-methylphenyl)phenanthren-2-yl]phenyl]aniline is CCCCCCC1(CCCCCC)c2ccccc2-c2ccc(N(C)c3ccc(-c4ccc(C)cc4)cc3)cc21.CCCCCCOc1cccc(N(C)c2ccc(-c3cc(C)c(-c4ccc(C)cc4)cc3C)cc2)c1.CCCCCCc1ccc(N(C)c2ccc(-c3ccc4c(ccc5cc(-c6ccc(C)cc6)ccc54)c3)cc2)cc1.CCc1cccc(N(C)c2ccc(-c3ccc4c(-c5ccccc5)c5cc(-c6ccc(C)cc6)ccc5c(-c5ccccc5)c4c3)cc2)c1.
What is the InChIKey of 9,9-dihexyl-N-methyl-N-[4-(4-methylphenyl)phenyl]fluoren-2-amine;N-[4-[2,5-dimethyl-4-(4-methylphenyl)phenyl]phenyl]-3-hexoxy-N-methylaniline;3-ethyl-N-methyl-N-[4-[6-(4-methylphenyl)-9,10-diphenylanthracen-2-yl]phenyl]aniline;4-hexyl-N-methyl-N-[4-[7-(4-methylphenyl)phenanthren-2-yl]phenyl]aniline?
The InChIKey is SFXCGDGXABNVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H39N.C40H39N.C39H47N.C34H39NO/c1-4-34-12-11-17-42(30-34)49(3)41-26-22-36(23-27-41)40-25-29-44-46(32-40)48(38-15-9-6-10-16-38)43-28-24-39(35-20-18-33(2)19-21-35)31-45(43)47(44)37-13-7-5-8-14-37;1-4-5-6-7-8-30-11-21-37(22-12-30)41(3)38-23-17-32(18-24-38)34-20-26-40-36(28-34)16-15-35-27-33(19-25-39(35)40)31-13-9-29(2)10-14-31;1-5-7-9-13-27-39(28-14-10-8-6-2)37-16-12-11-15-35(37)36-26-25-34(29-38(36)39)40(4)33-23-21-32(22-24-33)31-19-17-30(3)18-20-31;1-6-7-8-9-21-36-32-12-10-11-31(24-32)35(5)30-19-17-29(18-20-30)34-23-26(3)33(22-27(34)4)28-15-13-25(2)14-16-28/h5-32H,4H2,1-3H3;9-28H,4-8H2,1-3H3;11-12,15-26,29H,5-10,13-14,27-28H2,1-4H3;10-20,22-24H,6-9,21H2,1-5H3.
What are the key properties of 9,9-dihexyl-N-methyl-N-[4-(4-methylphenyl)phenyl]fluoren-2-amine;N-[4-[2,5-dimethyl-4-(4-methylphenyl)phenyl]phenyl]-3-hexoxy-N-methylaniline;3-ethyl-N-methyl-N-[4-[6-(4-methylphenyl)-9,10-diphenylanthracen-2-yl]phenyl]aniline;4-hexyl-N-methyl-N-[4-[7-(4-methylphenyl)phenanthren-2-yl]phenyl]aniline?
9,9-dihexyl-N-methyl-N-[4-(4-methylphenyl)phenyl]fluoren-2-amine;N-[4-[2,5-dimethyl-4-(4-methylphenyl)phenyl]phenyl]-3-hexoxy-N-methylaniline;3-ethyl-N-methyl-N-[4-[6-(4-methylphenyl)-9,10-diphenylanthracen-2-yl]phenyl]aniline;4-hexyl-N-methyl-N-[4-[7-(4-methylphenyl)phenanthren-2-yl]phenyl]aniline has a molecular weight of 2171.11 g/mol, XLogP of 46.14, 39 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dihexyl-N-methyl-N-[4-(4-methylphenyl)phenyl]fluoren-2-amine;N-[4-[2,5-dimethyl-4-(4-methylphenyl)phenyl]phenyl]-3-hexoxy-N-methylaniline;3-ethyl-N-methyl-N-[4-[6-(4-methylphenyl)-9,10-diphenylanthracen-2-yl]phenyl]aniline;4-hexyl-N-methyl-N-[4-[7-(4-methylphenyl)phenanthren-2-yl]phenyl]aniline is sourced from PubChem (CID 160823883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).