2-N-[4-[9-(4-aminophenyl)fluoren-9-yl]phenyl]-6-chloro-4-N-phenyl-1,3,5-triazine-2,4-diamine

C34H25ClN6 — CID 88568522

IUPAC2-N-[4-[9-(4-aminophenyl)fluoren-9-yl]phenyl]-6-chloro-4-N-phenyl-1,3,5-triazine-2,4-diamine
SMILESNc1ccc(C2(c3ccc(Nc4nc(Cl)nc(Nc5ccccc5)n4)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C34H25ClN6/c35-31-39-32(37-25-8-2-1-3-9-25)41-33(40-31)38-26-20-16-23(17-21-26)34(22-14-18-24(36)19-15-22)29-12-6-4-10-27(29)28-11-5-7-13-30(28)34/h1-21H,36H2,(H2,37,38,39,40,41)
InChIKeyLWTQPDGKMVUNGY-UHFFFAOYSA-N
MW553.07 g/mol
LogP7.96
Rot. Bonds6

About 2-N-[4-[9-(4-aminophenyl)fluoren-9-yl]phenyl]-6-chloro-4-N-phenyl-1,3,5-triazine-2,4-diamine

2-N-[4-[9-(4-aminophenyl)fluoren-9-yl]phenyl]-6-chloro-4-N-phenyl-1,3,5-triazine-2,4-diamine (PubChem CID 88568522) has the molecular formula C34H25ClN6 and a molecular weight of 553.07 g/mol. Its IUPAC name is 2-N-[4-[9-(4-aminophenyl)fluoren-9-yl]phenyl]-6-chloro-4-N-phenyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[4-[9-(4-aminophenyl)fluoren-9-yl]phenyl]-6-chloro-4-N-phenyl-1,3,5-triazine-2,4-diamine
PubChem CID88568522
Molecular FormulaC34H25ClN6
Molecular Weight553.07 g/mol
Exact Mass552.18
IUPAC Name2-N-[4-[9-(4-aminophenyl)fluoren-9-yl]phenyl]-6-chloro-4-N-phenyl-1,3,5-triazine-2,4-diamine
SMILESNc1ccc(C2(c3ccc(Nc4nc(Cl)nc(Nc5ccccc5)n4)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C34H25ClN6/c35-31-39-32(37-25-8-2-1-3-9-25)41-33(40-31)38-26-20-16-23(17-21-26)34(22-14-18-24(36)19-15-22)29-12-6-4-10-27(29)28-11-5-7-13-30(28)34/h1-21H,36H2,(H2,37,38,39,40,41)
InChIKeyLWTQPDGKMVUNGY-UHFFFAOYSA-N
XLogP7.96
TPSA88.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.07
LogP ≤ 57.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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
6-chloro-2-N-(4-fluorophenyl)-4-N-phenyl-1,3,5-triazine-2,4-diamine
CID 23033168
N-phenyl-2-[4-(9-phenylfluoren-9-yl)phenyl]aniline
CID 165158428
4-[9-(4-aminophenyl)-3-bromofluoren-9-yl]aniline
CID 18790937
6-chloro-4-N-ethyl-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 6452884
6-chloro-2-N-(4-nitrophenyl)-4-N-phenyl-1,3,5-triazine-2,4-diamine
CID 4187713
2-N-(4-aminophenyl)-4-N-phenylpyrido[2,3-d]pyrimidine-2,4-diamine
CID 177147618
bis(4-chloro-6-methyl-N-phenyl-1,3,5-triazin-2-amine);ethane
CID 159104924
N-(9,9-diphenylfluoren-3-yl)-9,9-diphenylfluoren-2-amine
CID 121423904
9,9-diphenylfluorene;methane
CID 145331804
9,9-diphenylfluorene;methane
CID 145140147
2-phenyl-4-[4-(9-phenylfluoren-9-yl)phenyl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 139521231

Frequently Asked Questions

What is the IUPAC name of 2-N-[4-[9-(4-aminophenyl)fluoren-9-yl]phenyl]-6-chloro-4-N-phenyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[4-[9-(4-aminophenyl)fluoren-9-yl]phenyl]-6-chloro-4-N-phenyl-1,3,5-triazine-2,4-diamine (CID 88568522) is 2-N-[4-[9-(4-aminophenyl)fluoren-9-yl]phenyl]-6-chloro-4-N-phenyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[4-[9-(4-aminophenyl)fluoren-9-yl]phenyl]-6-chloro-4-N-phenyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[4-[9-(4-aminophenyl)fluoren-9-yl]phenyl]-6-chloro-4-N-phenyl-1,3,5-triazine-2,4-diamine is Nc1ccc(C2(c3ccc(Nc4nc(Cl)nc(Nc5ccccc5)n4)cc3)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 2-N-[4-[9-(4-aminophenyl)fluoren-9-yl]phenyl]-6-chloro-4-N-phenyl-1,3,5-triazine-2,4-diamine?
The InChIKey is LWTQPDGKMVUNGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H25ClN6/c35-31-39-32(37-25-8-2-1-3-9-25)41-33(40-31)38-26-20-16-23(17-21-26)34(22-14-18-24(36)19-15-22)29-12-6-4-10-27(29)28-11-5-7-13-30(28)34/h1-21H,36H2,(H2,37,38,39,40,41).
What are the key properties of 2-N-[4-[9-(4-aminophenyl)fluoren-9-yl]phenyl]-6-chloro-4-N-phenyl-1,3,5-triazine-2,4-diamine?
2-N-[4-[9-(4-aminophenyl)fluoren-9-yl]phenyl]-6-chloro-4-N-phenyl-1,3,5-triazine-2,4-diamine has a molecular weight of 553.07 g/mol, XLogP of 7.96, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[4-[9-(4-aminophenyl)fluoren-9-yl]phenyl]-6-chloro-4-N-phenyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 88568522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).