3-[4-(9,9-dimethylfluoren-2-yl)-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-9-(4-methylphenyl)carbazole

C55H39N5 — CID 137401866

IUPAC3-[4-(9,9-dimethylfluoren-2-yl)-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-9-(4-methylphenyl)carbazole
SMILESCc1ccc(-n2c3ccccc3c3cc(-c4nc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)nc(-n5c6ccccc6c6cc(-c7ccccc7)ccc65)n4)ccc32)cc1
InChIInChI=1S/C55H39N5/c1-34-21-26-39(27-22-34)59-48-19-11-8-16-42(48)45-32-37(25-30-50(45)59)52-56-53(38-23-28-41-40-15-7-10-18-46(40)55(2,3)47(41)33-38)58-54(57-52)60-49-20-12-9-17-43(49)44-31-36(24-29-51(44)60)35-13-5-4-6-14-35/h4-33H,1-3H3
InChIKeyVXJACUDFZQJJDD-UHFFFAOYSA-N
MW769.95 g/mol
LogP13.68
Rot. Bonds5

About 3-[4-(9,9-dimethylfluoren-2-yl)-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-9-(4-methylphenyl)carbazole

3-[4-(9,9-dimethylfluoren-2-yl)-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-9-(4-methylphenyl)carbazole (PubChem CID 137401866) has the molecular formula C55H39N5 and a molecular weight of 769.95 g/mol. Its IUPAC name is 3-[4-(9,9-dimethylfluoren-2-yl)-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-9-(4-methylphenyl)carbazole.

Molecular Properties

Compound Name3-[4-(9,9-dimethylfluoren-2-yl)-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-9-(4-methylphenyl)carbazole
PubChem CID137401866
Molecular FormulaC55H39N5
Molecular Weight769.95 g/mol
Exact Mass769.32
IUPAC Name3-[4-(9,9-dimethylfluoren-2-yl)-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-9-(4-methylphenyl)carbazole
SMILESCc1ccc(-n2c3ccccc3c3cc(-c4nc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)nc(-n5c6ccccc6c6cc(-c7ccccc7)ccc65)n4)ccc32)cc1
InChIInChI=1S/C55H39N5/c1-34-21-26-39(27-22-34)59-48-19-11-8-16-42(48)45-32-37(25-30-50(45)59)52-56-53(38-23-28-41-40-15-7-10-18-46(40)55(2,3)47(41)33-38)58-54(57-52)60-49-20-12-9-17-43(49)44-31-36(24-29-51(44)60)35-13-5-4-6-14-35/h4-33H,1-3H3
InChIKeyVXJACUDFZQJJDD-UHFFFAOYSA-N
XLogP13.68
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500769.95
LogP ≤ 513.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[4-(9,9-dimethylfluoren-2-yl)-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-9-(4-methylphenyl)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

9-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-phenylcarbazole
CID 158012983
3-[9-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]carbazol-3-yl]-9-(9,9-dimethylfluoren-2-yl)-6-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazole;9-(9,9-dimethylfluoren-2-yl)-3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-6-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazole
CID 160991667
3-(9,9-dimethylfluoren-2-yl)-9-[3-[4-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]-6-[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 134236852
3-carbazol-9-yl-9-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 147106335
3-(9,9-dimethylfluoren-2-yl)-9-phenyl-6-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 145327687
2,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;5,9-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
CID 157062931
3-(9,9-dimethylfluoren-2-yl)-9-[3-[4-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]-6-(2,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 134236850
2-[4-(9,9-dimethylfluoren-2-yl)-6-[3-(3-phenylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 137402190
7,7-dimethyl-2-(9-phenylcarbazol-3-yl)-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indeno[2,1-b]carbazole
CID 130209432
3-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]-9-phenylcarbazole
CID 67678496
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(4,6-diphenylpyrimidin-2-yl)carbazole
CID 58511641
3-(9,9-dimethylfluoren-3-yl)-9-[4-[3-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]-6-[4-[4-[4-[3-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 126632340

Frequently Asked Questions

What is the IUPAC name of 3-[4-(9,9-dimethylfluoren-2-yl)-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-9-(4-methylphenyl)carbazole?
The IUPAC name of 3-[4-(9,9-dimethylfluoren-2-yl)-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-9-(4-methylphenyl)carbazole (CID 137401866) is 3-[4-(9,9-dimethylfluoren-2-yl)-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-9-(4-methylphenyl)carbazole.
What is the SMILES notation for 3-[4-(9,9-dimethylfluoren-2-yl)-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-9-(4-methylphenyl)carbazole?
The canonical SMILES for 3-[4-(9,9-dimethylfluoren-2-yl)-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-9-(4-methylphenyl)carbazole is Cc1ccc(-n2c3ccccc3c3cc(-c4nc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)nc(-n5c6ccccc6c6cc(-c7ccccc7)ccc65)n4)ccc32)cc1.
What is the InChIKey of 3-[4-(9,9-dimethylfluoren-2-yl)-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-9-(4-methylphenyl)carbazole?
The InChIKey is VXJACUDFZQJJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H39N5/c1-34-21-26-39(27-22-34)59-48-19-11-8-16-42(48)45-32-37(25-30-50(45)59)52-56-53(38-23-28-41-40-15-7-10-18-46(40)55(2,3)47(41)33-38)58-54(57-52)60-49-20-12-9-17-43(49)44-31-36(24-29-51(44)60)35-13-5-4-6-14-35/h4-33H,1-3H3.
What are the key properties of 3-[4-(9,9-dimethylfluoren-2-yl)-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-9-(4-methylphenyl)carbazole?
3-[4-(9,9-dimethylfluoren-2-yl)-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-9-(4-methylphenyl)carbazole has a molecular weight of 769.95 g/mol, XLogP of 13.68, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(9,9-dimethylfluoren-2-yl)-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-9-(4-methylphenyl)carbazole is sourced from PubChem (CID 137401866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).