4-[9-(4-aminophenyl)fluoren-9-yl]aniline;aniline;ethane;6-methyl-2-N-[4-[9-[4-(methylamino)phenyl]fluoren-9-yl]phenyl]-4-N-phenyl-1,3,5-triazine-2,4-diamine;2,4,6-trimethyl-1,3,5-triazine

C77H78N12 — CID 167631470

IUPAC4-[9-(4-aminophenyl)fluoren-9-yl]aniline;aniline;ethane;6-methyl-2-N-[4-[9-[4-(methylamino)phenyl]fluoren-9-yl]phenyl]-4-N-phenyl-1,3,5-triazine-2,4-diamine;2,4,6-trimethyl-1,3,5-triazine
SMILESCC.CC.CNc1ccc(C2(c3ccc(Nc4nc(C)nc(Nc5ccccc5)n4)cc3)c3ccccc3-c3ccccc32)cc1.Cc1nc(C)nc(C)n1.Nc1ccc(C2(c3ccc(N)cc3)c3ccccc3-c3ccccc32)cc1.Nc1ccccc1
InChIInChI=1S/C36H30N6.C25H20N2.C6H9N3.C6H7N.2C2H6/c1-24-38-34(40-28-10-4-3-5-11-28)42-35(39-24)41-29-22-18-26(19-23-29)36(25-16-20-27(37-2)21-17-25)32-14-8-6-12-30(32)31-13-7-9-15-33(31)36;26-19-13-9-17(10-14-19)25(18-11-15-20(27)16-12-18)23-7-3-1-5-21(23)22-6-2-4-8-24(22)25;1-4-7-5(2)9-6(3)8-4;7-6-4-2-1-3-5-6;2*1-2/h3-23,37H,1-2H3,(H2,38,39,40,41,42);1-16H,26-27H2;1-3H3;1-5H,7H2;2*1-2H3
InChIKeyNWDWNNXBEZIQLK-UHFFFAOYSA-N
MW1171.55 g/mol
LogP17.40
Rot. Bonds9

About 4-[9-(4-aminophenyl)fluoren-9-yl]aniline;aniline;ethane;6-methyl-2-N-[4-[9-[4-(methylamino)phenyl]fluoren-9-yl]phenyl]-4-N-phenyl-1,3,5-triazine-2,4-diamine;2,4,6-trimethyl-1,3,5-triazine

4-[9-(4-aminophenyl)fluoren-9-yl]aniline;aniline;ethane;6-methyl-2-N-[4-[9-[4-(methylamino)phenyl]fluoren-9-yl]phenyl]-4-N-phenyl-1,3,5-triazine-2,4-diamine;2,4,6-trimethyl-1,3,5-triazine (PubChem CID 167631470) has the molecular formula C77H78N12 and a molecular weight of 1171.55 g/mol. Its IUPAC name is 4-[9-(4-aminophenyl)fluoren-9-yl]aniline;aniline;ethane;6-methyl-2-N-[4-[9-[4-(methylamino)phenyl]fluoren-9-yl]phenyl]-4-N-phenyl-1,3,5-triazine-2,4-diamine;2,4,6-trimethyl-1,3,5-triazine.

Molecular Properties

Compound Name4-[9-(4-aminophenyl)fluoren-9-yl]aniline;aniline;ethane;6-methyl-2-N-[4-[9-[4-(methylamino)phenyl]fluoren-9-yl]phenyl]-4-N-phenyl-1,3,5-triazine-2,4-diamine;2,4,6-trimethyl-1,3,5-triazine
PubChem CID167631470
Molecular FormulaC77H78N12
Molecular Weight1171.55 g/mol
Exact Mass1170.65
IUPAC Name4-[9-(4-aminophenyl)fluoren-9-yl]aniline;aniline;ethane;6-methyl-2-N-[4-[9-[4-(methylamino)phenyl]fluoren-9-yl]phenyl]-4-N-phenyl-1,3,5-triazine-2,4-diamine;2,4,6-trimethyl-1,3,5-triazine
SMILESCC.CC.CNc1ccc(C2(c3ccc(Nc4nc(C)nc(Nc5ccccc5)n4)cc3)c3ccccc3-c3ccccc32)cc1.Cc1nc(C)nc(C)n1.Nc1ccc(C2(c3ccc(N)cc3)c3ccccc3-c3ccccc32)cc1.Nc1ccccc1
InChIInChI=1S/C36H30N6.C25H20N2.C6H9N3.C6H7N.2C2H6/c1-24-38-34(40-28-10-4-3-5-11-28)42-35(39-24)41-29-22-18-26(19-23-29)36(25-16-20-27(37-2)21-17-25)32-14-8-6-12-30(32)31-13-7-9-15-33(31)36;26-19-13-9-17(10-14-19)25(18-11-15-20(27)16-12-18)23-7-3-1-5-21(23)22-6-2-4-8-24(22)25;1-4-7-5(2)9-6(3)8-4;7-6-4-2-1-3-5-6;2*1-2/h3-23,37H,1-2H3,(H2,38,39,40,41,42);1-16H,26-27H2;1-3H3;1-5H,7H2;2*1-2H3
InChIKeyNWDWNNXBEZIQLK-UHFFFAOYSA-N
XLogP17.40
TPSA191.49 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms89
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001171.55
LogP ≤ 517.40
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-[9-(4-aminophenyl)fluoren-9-yl]aniline;aniline;ethane;6-methyl-2-N-[4-[9-[4-(methylamino)phenyl]fluoren-9-yl]phenyl]-4-N-phenyl-1,3,5-triazine-2,4-diamine;2,4,6-trimethyl-1,3,5-triazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[9-(4-aminophenyl)fluoren-9-yl]aniline;aniline;ethane;6-methyl-2-N-[4-[9-[4-(methylamino)phenyl]fluoren-9-yl]phenyl]-4-N-phenyl-1,3,5-triazine-2,4-diamine;2,4,6-trimethyl-1,3,5-triazine?
The IUPAC name of 4-[9-(4-aminophenyl)fluoren-9-yl]aniline;aniline;ethane;6-methyl-2-N-[4-[9-[4-(methylamino)phenyl]fluoren-9-yl]phenyl]-4-N-phenyl-1,3,5-triazine-2,4-diamine;2,4,6-trimethyl-1,3,5-triazine (CID 167631470) is 4-[9-(4-aminophenyl)fluoren-9-yl]aniline;aniline;ethane;6-methyl-2-N-[4-[9-[4-(methylamino)phenyl]fluoren-9-yl]phenyl]-4-N-phenyl-1,3,5-triazine-2,4-diamine;2,4,6-trimethyl-1,3,5-triazine.
What is the SMILES notation for 4-[9-(4-aminophenyl)fluoren-9-yl]aniline;aniline;ethane;6-methyl-2-N-[4-[9-[4-(methylamino)phenyl]fluoren-9-yl]phenyl]-4-N-phenyl-1,3,5-triazine-2,4-diamine;2,4,6-trimethyl-1,3,5-triazine?
The canonical SMILES for 4-[9-(4-aminophenyl)fluoren-9-yl]aniline;aniline;ethane;6-methyl-2-N-[4-[9-[4-(methylamino)phenyl]fluoren-9-yl]phenyl]-4-N-phenyl-1,3,5-triazine-2,4-diamine;2,4,6-trimethyl-1,3,5-triazine is CC.CC.CNc1ccc(C2(c3ccc(Nc4nc(C)nc(Nc5ccccc5)n4)cc3)c3ccccc3-c3ccccc32)cc1.Cc1nc(C)nc(C)n1.Nc1ccc(C2(c3ccc(N)cc3)c3ccccc3-c3ccccc32)cc1.Nc1ccccc1.
What is the InChIKey of 4-[9-(4-aminophenyl)fluoren-9-yl]aniline;aniline;ethane;6-methyl-2-N-[4-[9-[4-(methylamino)phenyl]fluoren-9-yl]phenyl]-4-N-phenyl-1,3,5-triazine-2,4-diamine;2,4,6-trimethyl-1,3,5-triazine?
The InChIKey is NWDWNNXBEZIQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H30N6.C25H20N2.C6H9N3.C6H7N.2C2H6/c1-24-38-34(40-28-10-4-3-5-11-28)42-35(39-24)41-29-22-18-26(19-23-29)36(25-16-20-27(37-2)21-17-25)32-14-8-6-12-30(32)31-13-7-9-15-33(31)36;26-19-13-9-17(10-14-19)25(18-11-15-20(27)16-12-18)23-7-3-1-5-21(23)22-6-2-4-8-24(22)25;1-4-7-5(2)9-6(3)8-4;7-6-4-2-1-3-5-6;2*1-2/h3-23,37H,1-2H3,(H2,38,39,40,41,42);1-16H,26-27H2;1-3H3;1-5H,7H2;2*1-2H3.
What are the key properties of 4-[9-(4-aminophenyl)fluoren-9-yl]aniline;aniline;ethane;6-methyl-2-N-[4-[9-[4-(methylamino)phenyl]fluoren-9-yl]phenyl]-4-N-phenyl-1,3,5-triazine-2,4-diamine;2,4,6-trimethyl-1,3,5-triazine?
4-[9-(4-aminophenyl)fluoren-9-yl]aniline;aniline;ethane;6-methyl-2-N-[4-[9-[4-(methylamino)phenyl]fluoren-9-yl]phenyl]-4-N-phenyl-1,3,5-triazine-2,4-diamine;2,4,6-trimethyl-1,3,5-triazine has a molecular weight of 1171.55 g/mol, XLogP of 17.40, 9 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9-(4-aminophenyl)fluoren-9-yl]aniline;aniline;ethane;6-methyl-2-N-[4-[9-[4-(methylamino)phenyl]fluoren-9-yl]phenyl]-4-N-phenyl-1,3,5-triazine-2,4-diamine;2,4,6-trimethyl-1,3,5-triazine is sourced from PubChem (CID 167631470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).