9-[3-(3-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)phenyl]-2-(9-phenylfluoren-9-yl)carbazole

C53H38N4 — CID 118145242

IUPAC9-[3-(3-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)phenyl]-2-(9-phenylfluoren-9-yl)carbazole
SMILESCN1C(c2cccc(-n3c4ccccc4c4ccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)cc43)c2)=NC(c2ccccc2)=NC1c1ccccc1
InChIInChI=1S/C53H38N4/c1-56-51(37-20-7-3-8-21-37)54-50(36-18-5-2-6-19-36)55-52(56)38-22-17-25-41(34-38)57-48-31-16-13-28-44(48)45-33-32-40(35-49(45)57)53(39-23-9-4-10-24-39)46-29-14-11-26-42(46)43-27-12-15-30-47(43)53/h2-35,51H,1H3
InChIKeyDTROFNGWQNYMOM-UHFFFAOYSA-N
MW730.92 g/mol
LogP11.98
Rot. Bonds6

About 9-[3-(3-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)phenyl]-2-(9-phenylfluoren-9-yl)carbazole

9-[3-(3-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)phenyl]-2-(9-phenylfluoren-9-yl)carbazole (PubChem CID 118145242) has the molecular formula C53H38N4 and a molecular weight of 730.92 g/mol. Its IUPAC name is 9-[3-(3-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)phenyl]-2-(9-phenylfluoren-9-yl)carbazole.

Molecular Properties

Compound Name9-[3-(3-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)phenyl]-2-(9-phenylfluoren-9-yl)carbazole
PubChem CID118145242
Molecular FormulaC53H38N4
Molecular Weight730.92 g/mol
Exact Mass730.31
IUPAC Name9-[3-(3-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)phenyl]-2-(9-phenylfluoren-9-yl)carbazole
SMILESCN1C(c2cccc(-n3c4ccccc4c4ccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)cc43)c2)=NC(c2ccccc2)=NC1c1ccccc1
InChIInChI=1S/C53H38N4/c1-56-51(37-20-7-3-8-21-37)54-50(36-18-5-2-6-19-36)55-52(56)38-22-17-25-41(34-38)57-48-31-16-13-28-44(48)45-33-32-40(35-49(45)57)53(39-23-9-4-10-24-39)46-29-14-11-26-42(46)43-27-12-15-30-47(43)53/h2-35,51H,1H3
InChIKeyDTROFNGWQNYMOM-UHFFFAOYSA-N
XLogP11.98
TPSA32.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500730.92
LogP ≤ 511.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-[3-(3-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)phenyl]-2-(9-phenylfluoren-9-yl)carbazole 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

7,7-dimethyl-5-[4-(1-methyl-4,6-diphenyl-2H-1,3,5-triazin-2-yl)phenyl]indeno[2,1-b]carbazole
CID 163832485
12-[3-(3-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)phenyl]-5-phenylindolo[3,2-c]carbazole
CID 163972576
5'-[3-[3-methyl-6-phenyl-2-(4-phenylphenyl)-2H-1,3,5-triazin-4-yl]phenyl]spiro[fluorene-9,8'-thiochromeno[3,2-c]carbazole]
CID 152823383
3-[9-[4-(1-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 118004609
9-phenyl-6-(9-phenylcarbazol-3-yl)-2-(9-phenylfluoren-9-yl)carbazole
CID 118145084
9-phenyl-3-(9-phenylfluoren-9-yl)-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 121311550
3-(9-phenylcarbazol-1-yl)-6-(9-phenylfluoren-9-yl)-9-(3-phenylphenyl)carbazole
CID 121311539
methane;9-[3-(9-phenylfluoren-9-yl)phenyl]carbazole
CID 158348177
3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-[4-[4-[3-[9-[4-(3-phenylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590519
3-[9-[4-[3-[4-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 154590573
3-[4-[9-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-9-yl]phenyl]-9-[3-[9-[4-[4-[9-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-9-yl]phenyl]phenyl]carbazol-3-yl]phenyl]carbazole
CID 146517009
3-[9-[3-[3-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 154590619

Frequently Asked Questions

What is the IUPAC name of 9-[3-(3-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)phenyl]-2-(9-phenylfluoren-9-yl)carbazole?
The IUPAC name of 9-[3-(3-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)phenyl]-2-(9-phenylfluoren-9-yl)carbazole (CID 118145242) is 9-[3-(3-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)phenyl]-2-(9-phenylfluoren-9-yl)carbazole.
What is the SMILES notation for 9-[3-(3-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)phenyl]-2-(9-phenylfluoren-9-yl)carbazole?
The canonical SMILES for 9-[3-(3-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)phenyl]-2-(9-phenylfluoren-9-yl)carbazole is CN1C(c2cccc(-n3c4ccccc4c4ccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)cc43)c2)=NC(c2ccccc2)=NC1c1ccccc1.
What is the InChIKey of 9-[3-(3-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)phenyl]-2-(9-phenylfluoren-9-yl)carbazole?
The InChIKey is DTROFNGWQNYMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H38N4/c1-56-51(37-20-7-3-8-21-37)54-50(36-18-5-2-6-19-36)55-52(56)38-22-17-25-41(34-38)57-48-31-16-13-28-44(48)45-33-32-40(35-49(45)57)53(39-23-9-4-10-24-39)46-29-14-11-26-42(46)43-27-12-15-30-47(43)53/h2-35,51H,1H3.
What are the key properties of 9-[3-(3-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)phenyl]-2-(9-phenylfluoren-9-yl)carbazole?
9-[3-(3-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)phenyl]-2-(9-phenylfluoren-9-yl)carbazole has a molecular weight of 730.92 g/mol, XLogP of 11.98, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(3-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)phenyl]-2-(9-phenylfluoren-9-yl)carbazole is sourced from PubChem (CID 118145242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).