1-[2-[4-dibenzofuran-3-yl-6-(9,9-dimethylfluoren-2-yl)-1,3,5-triazin-2-yl]carbazol-9-yl]-9-phenylcarbazole

C60H39N5O — CID 168807768

IUPAC1-[2-[4-dibenzofuran-3-yl-6-(9,9-dimethylfluoren-2-yl)-1,3,5-triazin-2-yl]carbazol-9-yl]-9-phenylcarbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccc5c(c4)oc4ccccc45)nc(-c4ccc5c6ccccc6n(-c6cccc7c8ccccc8n(-c8ccccc8)c67)c5c4)n3)cc21
InChIInChI=1S/C60H39N5O/c1-60(2)48-22-10-6-17-40(48)41-30-27-36(33-49(41)60)57-61-58(63-59(62-57)38-29-32-46-45-20-9-13-26-54(45)66-55(46)35-38)37-28-31-44-42-18-7-12-24-51(42)65(53(44)34-37)52-25-14-21-47-43-19-8-11-23-50(43)64(56(47)52)39-15-4-3-5-16-39/h3-35H,1-2H3
InChIKeyIELPFFNQMLHSNU-UHFFFAOYSA-N
MW846.01 g/mol
LogP15.27
Rot. Bonds5

About 1-[2-[4-dibenzofuran-3-yl-6-(9,9-dimethylfluoren-2-yl)-1,3,5-triazin-2-yl]carbazol-9-yl]-9-phenylcarbazole

1-[2-[4-dibenzofuran-3-yl-6-(9,9-dimethylfluoren-2-yl)-1,3,5-triazin-2-yl]carbazol-9-yl]-9-phenylcarbazole (PubChem CID 168807768) has the molecular formula C60H39N5O and a molecular weight of 846.01 g/mol. Its IUPAC name is 1-[2-[4-dibenzofuran-3-yl-6-(9,9-dimethylfluoren-2-yl)-1,3,5-triazin-2-yl]carbazol-9-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name1-[2-[4-dibenzofuran-3-yl-6-(9,9-dimethylfluoren-2-yl)-1,3,5-triazin-2-yl]carbazol-9-yl]-9-phenylcarbazole
PubChem CID168807768
Molecular FormulaC60H39N5O
Molecular Weight846.01 g/mol
Exact Mass845.32
IUPAC Name1-[2-[4-dibenzofuran-3-yl-6-(9,9-dimethylfluoren-2-yl)-1,3,5-triazin-2-yl]carbazol-9-yl]-9-phenylcarbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccc5c(c4)oc4ccccc45)nc(-c4ccc5c6ccccc6n(-c6cccc7c8ccccc8n(-c8ccccc8)c67)c5c4)n3)cc21
InChIInChI=1S/C60H39N5O/c1-60(2)48-22-10-6-17-40(48)41-30-27-36(33-49(41)60)57-61-58(63-59(62-57)38-29-32-46-45-20-9-13-26-54(45)66-55(46)35-38)37-28-31-44-42-18-7-12-24-51(42)65(53(44)34-37)52-25-14-21-47-43-19-8-11-23-50(43)64(56(47)52)39-15-4-3-5-16-39/h3-35H,1-2H3
InChIKeyIELPFFNQMLHSNU-UHFFFAOYSA-N
XLogP15.27
TPSA61.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500846.01
LogP ≤ 515.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[2-[4-dibenzofuran-3-yl-6-(9,9-dimethylfluoren-2-yl)-1,3,5-triazin-2-yl]carbazol-9-yl]-9-phenylcarbazole 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

1-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-(7-phenyldibenzofuran-1-yl)carbazole
CID 170080056
9-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1-[3-(9,9-dimethylfluoren-3-yl)phenyl]carbazole
CID 142568449
1-dibenzofuran-3-yl-9-[3-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]carbazole
CID 130355704
5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 146336057
11-[3-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole
CID 169014731
6-carbazol-9-yl-9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-1-[3-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]carbazole
CID 142569574
5-(4-carbazol-9-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole
CID 166914017
1-(9,9-dimethylfluoren-2-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 147949558
9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-1-(9,9-dimethylfluoren-2-yl)carbazole;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-1-yl]-9-phenylcarbazole;1-(9-phenylcarbazol-2-yl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 157295181
2-[4-(9,9-dimethylfluoren-2-yl)-6-[3-(3-phenylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 137402190
9-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazol-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 134223723
9-[3-carbazol-9-yl-5-(6-dibenzofuran-3-yl-2-phenylpyrimidin-4-yl)phenyl]carbazole;9-[3-carbazol-9-yl-5-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]carbazole;9-[3-carbazol-9-yl-5-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]carbazole
CID 167665643

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-dibenzofuran-3-yl-6-(9,9-dimethylfluoren-2-yl)-1,3,5-triazin-2-yl]carbazol-9-yl]-9-phenylcarbazole?
The IUPAC name of 1-[2-[4-dibenzofuran-3-yl-6-(9,9-dimethylfluoren-2-yl)-1,3,5-triazin-2-yl]carbazol-9-yl]-9-phenylcarbazole (CID 168807768) is 1-[2-[4-dibenzofuran-3-yl-6-(9,9-dimethylfluoren-2-yl)-1,3,5-triazin-2-yl]carbazol-9-yl]-9-phenylcarbazole.
What is the SMILES notation for 1-[2-[4-dibenzofuran-3-yl-6-(9,9-dimethylfluoren-2-yl)-1,3,5-triazin-2-yl]carbazol-9-yl]-9-phenylcarbazole?
The canonical SMILES for 1-[2-[4-dibenzofuran-3-yl-6-(9,9-dimethylfluoren-2-yl)-1,3,5-triazin-2-yl]carbazol-9-yl]-9-phenylcarbazole is CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccc5c(c4)oc4ccccc45)nc(-c4ccc5c6ccccc6n(-c6cccc7c8ccccc8n(-c8ccccc8)c67)c5c4)n3)cc21.
What is the InChIKey of 1-[2-[4-dibenzofuran-3-yl-6-(9,9-dimethylfluoren-2-yl)-1,3,5-triazin-2-yl]carbazol-9-yl]-9-phenylcarbazole?
The InChIKey is IELPFFNQMLHSNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H39N5O/c1-60(2)48-22-10-6-17-40(48)41-30-27-36(33-49(41)60)57-61-58(63-59(62-57)38-29-32-46-45-20-9-13-26-54(45)66-55(46)35-38)37-28-31-44-42-18-7-12-24-51(42)65(53(44)34-37)52-25-14-21-47-43-19-8-11-23-50(43)64(56(47)52)39-15-4-3-5-16-39/h3-35H,1-2H3.
What are the key properties of 1-[2-[4-dibenzofuran-3-yl-6-(9,9-dimethylfluoren-2-yl)-1,3,5-triazin-2-yl]carbazol-9-yl]-9-phenylcarbazole?
1-[2-[4-dibenzofuran-3-yl-6-(9,9-dimethylfluoren-2-yl)-1,3,5-triazin-2-yl]carbazol-9-yl]-9-phenylcarbazole has a molecular weight of 846.01 g/mol, XLogP of 15.27, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-dibenzofuran-3-yl-6-(9,9-dimethylfluoren-2-yl)-1,3,5-triazin-2-yl]carbazol-9-yl]-9-phenylcarbazole is sourced from PubChem (CID 168807768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).