(1E,3Z)-2-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-9-phenylfluoren-9-yl]penta-1,3-dien-1-amine

C41H34N4 — CID 142385245

IUPAC(1E,3Z)-2-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-9-phenylfluoren-9-yl]penta-1,3-dien-1-amine
SMILESC/C=C\C(=C/N)C1(c2ccccc2)c2ccccc2-c2c(-c3nc(-c4ccc(C)cc4)nc(-c4ccc(C)cc4)n3)cccc21
InChIInChI=1S/C41H34N4/c1-4-11-32(26-42)41(31-12-6-5-7-13-31)35-16-9-8-14-33(35)37-34(15-10-17-36(37)41)40-44-38(29-22-18-27(2)19-23-29)43-39(45-40)30-24-20-28(3)21-25-30/h4-26H,42H2,1-3H3/b11-4-,32-26+
InChIKeyGZWUTHSGVIRBLZ-FZJUWJFUSA-N
MW582.75 g/mol
LogP9.22
Rot. Bonds6

About (1E,3Z)-2-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-9-phenylfluoren-9-yl]penta-1,3-dien-1-amine

(1E,3Z)-2-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-9-phenylfluoren-9-yl]penta-1,3-dien-1-amine (PubChem CID 142385245) has the molecular formula C41H34N4 and a molecular weight of 582.75 g/mol. Its IUPAC name is (1E,3Z)-2-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-9-phenylfluoren-9-yl]penta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1E,3Z)-2-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-9-phenylfluoren-9-yl]penta-1,3-dien-1-amine
PubChem CID142385245
Molecular FormulaC41H34N4
Molecular Weight582.75 g/mol
Exact Mass582.28
IUPAC Name(1E,3Z)-2-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-9-phenylfluoren-9-yl]penta-1,3-dien-1-amine
SMILESC/C=C\C(=C/N)C1(c2ccccc2)c2ccccc2-c2c(-c3nc(-c4ccc(C)cc4)nc(-c4ccc(C)cc4)n3)cccc21
InChIInChI=1S/C41H34N4/c1-4-11-32(26-42)41(31-12-6-5-7-13-31)35-16-9-8-14-33(35)37-34(15-10-17-36(37)41)40-44-38(29-22-18-27(2)19-23-29)43-39(45-40)30-24-20-28(3)21-25-30/h4-26H,42H2,1-3H3/b11-4-,32-26+
InChIKeyGZWUTHSGVIRBLZ-FZJUWJFUSA-N
XLogP9.22
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.75
LogP ≤ 59.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1E,3Z)-2-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-9-phenylfluoren-9-yl]penta-1,3-dien-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-(4-methylphenyl)-6-[4-[9-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]-9-pyridin-3-ylfluoren-4-yl]phenyl]-1,3,5-triazin-2-yl]benzonitrile
CID 142385208
2,4-bis(9,9-dimethylfluoren-4-yl)-6-(4-methylphenyl)-1,3,5-triazine
CID 126543875
2-[(9R)-9-methyl-9-phenylfluoren-4-yl]-4,6-diphenyl-1,3,5-triazine
CID 125479874
(1E,3Z)-2-[4-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-9-(6-methylcyclohexa-2,4-dien-1-yl)fluoren-9-yl]penta-1,3-dien-1-amine
CID 142384949
2-(4-chlorophenyl)-4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazine
CID 167485394
2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 153302614
2-(9,9-dimethylfluoren-4-yl)-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 146632838
2-(4-phenylphenyl)-4-(4-pyridin-4-ylphenyl)-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazine
CID 146633327
2-[4-[3-(4-methylphenyl)-9,9-diphenylfluoren-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 155765168
2-cyclohexa-1,5-dien-1-yl-4-(7-methyl-9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazine
CID 154618868
2-(9,9-dimethylfluoren-4-yl)-4-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenyl-1,3,5-triazine
CID 165150402
2-(9,9-diphenylfluoren-2-yl)-4,6-diphenyl-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-diphenylfluoren-4-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2,4-diphenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine
CID 160879933

Frequently Asked Questions

What is the IUPAC name of (1E,3Z)-2-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-9-phenylfluoren-9-yl]penta-1,3-dien-1-amine?
The IUPAC name of (1E,3Z)-2-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-9-phenylfluoren-9-yl]penta-1,3-dien-1-amine (CID 142385245) is (1E,3Z)-2-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-9-phenylfluoren-9-yl]penta-1,3-dien-1-amine.
What is the SMILES notation for (1E,3Z)-2-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-9-phenylfluoren-9-yl]penta-1,3-dien-1-amine?
The canonical SMILES for (1E,3Z)-2-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-9-phenylfluoren-9-yl]penta-1,3-dien-1-amine is C/C=C\C(=C/N)C1(c2ccccc2)c2ccccc2-c2c(-c3nc(-c4ccc(C)cc4)nc(-c4ccc(C)cc4)n3)cccc21.
What is the InChIKey of (1E,3Z)-2-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-9-phenylfluoren-9-yl]penta-1,3-dien-1-amine?
The InChIKey is GZWUTHSGVIRBLZ-FZJUWJFUSA-N. The full InChI is InChI=1S/C41H34N4/c1-4-11-32(26-42)41(31-12-6-5-7-13-31)35-16-9-8-14-33(35)37-34(15-10-17-36(37)41)40-44-38(29-22-18-27(2)19-23-29)43-39(45-40)30-24-20-28(3)21-25-30/h4-26H,42H2,1-3H3/b11-4-,32-26+.
What are the key properties of (1E,3Z)-2-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-9-phenylfluoren-9-yl]penta-1,3-dien-1-amine?
(1E,3Z)-2-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-9-phenylfluoren-9-yl]penta-1,3-dien-1-amine has a molecular weight of 582.75 g/mol, XLogP of 9.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-2-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-9-phenylfluoren-9-yl]penta-1,3-dien-1-amine is sourced from PubChem (CID 142385245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).