5-[2-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-6-(9,9-dimethylfluoren-3-yl)phenyl]pyrido[4,3-b]indole

C53H36N6 — CID 176634741

IUPAC5-[2-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-6-(9,9-dimethylfluoren-3-yl)phenyl]pyrido[4,3-b]indole
SMILESCC1(C)c2ccccc2-c2cc(-c3cccc(-c4nc(-c5ccccc5)nc(-n5c6ccccc6c6ccccc65)n4)c3-n3c4ccccc4c4cnccc43)ccc21
InChIInChI=1S/C53H36N6/c1-53(2)43-23-10-6-17-36(43)41-31-34(27-28-44(41)53)35-21-14-22-40(49(35)58-45-24-11-9-20-39(45)42-32-54-30-29-48(42)58)51-55-50(33-15-4-3-5-16-33)56-52(57-51)59-46-25-12-7-18-37(46)38-19-8-13-26-47(38)59/h3-32H,1-2H3
InChIKeyTUIMBHQDHFHXBI-UHFFFAOYSA-N
MW756.91 g/mol
LogP12.77
Rot. Bonds5

About 5-[2-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-6-(9,9-dimethylfluoren-3-yl)phenyl]pyrido[4,3-b]indole

5-[2-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-6-(9,9-dimethylfluoren-3-yl)phenyl]pyrido[4,3-b]indole (PubChem CID 176634741) has the molecular formula C53H36N6 and a molecular weight of 756.91 g/mol. Its IUPAC name is 5-[2-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-6-(9,9-dimethylfluoren-3-yl)phenyl]pyrido[4,3-b]indole.

Molecular Properties

Compound Name5-[2-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-6-(9,9-dimethylfluoren-3-yl)phenyl]pyrido[4,3-b]indole
PubChem CID176634741
Molecular FormulaC53H36N6
Molecular Weight756.91 g/mol
Exact Mass756.30
IUPAC Name5-[2-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-6-(9,9-dimethylfluoren-3-yl)phenyl]pyrido[4,3-b]indole
SMILESCC1(C)c2ccccc2-c2cc(-c3cccc(-c4nc(-c5ccccc5)nc(-n5c6ccccc6c6ccccc65)n4)c3-n3c4ccccc4c4cnccc43)ccc21
InChIInChI=1S/C53H36N6/c1-53(2)43-23-10-6-17-36(43)41-31-34(27-28-44(41)53)35-21-14-22-40(49(35)58-45-24-11-9-20-39(45)42-32-54-30-29-48(42)58)51-55-50(33-15-4-3-5-16-33)56-52(57-51)59-46-25-12-7-18-37(46)38-19-8-13-26-47(38)59/h3-32H,1-2H3
InChIKeyTUIMBHQDHFHXBI-UHFFFAOYSA-N
XLogP12.77
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500756.91
LogP ≤ 512.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[2-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-6-(9,9-dimethylfluoren-3-yl)phenyl]pyrido[4,3-b]indole 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

5-[3-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]pyrido[4,3-b]indole
CID 135298303
5-[4-(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 146281333
5-[2-[4-[4-(9,9-dimethylfluoren-4-yl)carbazol-9-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]pyrido[4,3-b]indole
CID 176634805
5-[2-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 169014487
5-[3-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 169014140
12-[4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]-11-[3-(2-phenylphenyl)phenyl]indolo[2,3-a]carbazole
CID 165165441
9-[2-[4-(9,9-dimethylfluoren-3-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole
CID 171724613
5-[4-(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-11,11-dimethylindeno[1,2-b]carbazole
CID 146281335
5-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole;methane
CID 160846132
9-[4-(2-carbazol-9-yl-3-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 176837753
4-[4-carbazol-9-yl-6-(9,9-dimethylfluoren-3-yl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzoxazole
CID 176756148
2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazol-8-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
CID 66797829

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-6-(9,9-dimethylfluoren-3-yl)phenyl]pyrido[4,3-b]indole?
The IUPAC name of 5-[2-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-6-(9,9-dimethylfluoren-3-yl)phenyl]pyrido[4,3-b]indole (CID 176634741) is 5-[2-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-6-(9,9-dimethylfluoren-3-yl)phenyl]pyrido[4,3-b]indole.
What is the SMILES notation for 5-[2-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-6-(9,9-dimethylfluoren-3-yl)phenyl]pyrido[4,3-b]indole?
The canonical SMILES for 5-[2-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-6-(9,9-dimethylfluoren-3-yl)phenyl]pyrido[4,3-b]indole is CC1(C)c2ccccc2-c2cc(-c3cccc(-c4nc(-c5ccccc5)nc(-n5c6ccccc6c6ccccc65)n4)c3-n3c4ccccc4c4cnccc43)ccc21.
What is the InChIKey of 5-[2-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-6-(9,9-dimethylfluoren-3-yl)phenyl]pyrido[4,3-b]indole?
The InChIKey is TUIMBHQDHFHXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H36N6/c1-53(2)43-23-10-6-17-36(43)41-31-34(27-28-44(41)53)35-21-14-22-40(49(35)58-45-24-11-9-20-39(45)42-32-54-30-29-48(42)58)51-55-50(33-15-4-3-5-16-33)56-52(57-51)59-46-25-12-7-18-37(46)38-19-8-13-26-47(38)59/h3-32H,1-2H3.
What are the key properties of 5-[2-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-6-(9,9-dimethylfluoren-3-yl)phenyl]pyrido[4,3-b]indole?
5-[2-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-6-(9,9-dimethylfluoren-3-yl)phenyl]pyrido[4,3-b]indole has a molecular weight of 756.91 g/mol, XLogP of 12.77, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-6-(9,9-dimethylfluoren-3-yl)phenyl]pyrido[4,3-b]indole is sourced from PubChem (CID 176634741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).