12-[4-(9-phenylcarbazol-1-yl)-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole

C57H34N6O — CID 163786854

IUPAC12-[4-(9-phenylcarbazol-1-yl)-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4nc(-c5cccc6c7ccccc7n(-c7ccccc7)c56)nc(-n5c6ccccc6c6ccc7c8ccccc8oc7c65)n4)ccc32)cc1
InChIInChI=1S/C57H34N6O/c1-3-16-36(17-4-1)61-47-26-11-9-22-40(47)46-34-35(30-33-50(46)61)55-58-56(45-25-15-24-42-38-20-7-12-27-48(38)62(52(42)45)37-18-5-2-6-19-37)60-57(59-55)63-49-28-13-8-21-39(49)43-31-32-44-41-23-10-14-29-51(41)64-54(44)53(43)63/h1-34H
InChIKeyMTHSFTVFTTYMKO-UHFFFAOYSA-N
MW818.94 g/mol
LogP14.40
Rot. Bonds5

About 12-[4-(9-phenylcarbazol-1-yl)-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole

12-[4-(9-phenylcarbazol-1-yl)-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole (PubChem CID 163786854) has the molecular formula C57H34N6O and a molecular weight of 818.94 g/mol. Its IUPAC name is 12-[4-(9-phenylcarbazol-1-yl)-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole.

Molecular Properties

Compound Name12-[4-(9-phenylcarbazol-1-yl)-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
PubChem CID163786854
Molecular FormulaC57H34N6O
Molecular Weight818.94 g/mol
Exact Mass818.28
IUPAC Name12-[4-(9-phenylcarbazol-1-yl)-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4nc(-c5cccc6c7ccccc7n(-c7ccccc7)c56)nc(-n5c6ccccc6c6ccc7c8ccccc8oc7c65)n4)ccc32)cc1
InChIInChI=1S/C57H34N6O/c1-3-16-36(17-4-1)61-47-26-11-9-22-40(47)46-34-35(30-33-50(46)61)55-58-56(45-25-15-24-42-38-20-7-12-27-48(38)62(52(42)45)37-18-5-2-6-19-37)60-57(59-55)63-49-28-13-8-21-39(49)43-31-32-44-41-23-10-14-29-51(41)64-54(44)53(43)63/h1-34H
InChIKeyMTHSFTVFTTYMKO-UHFFFAOYSA-N
XLogP14.40
TPSA66.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500818.94
LogP ≤ 514.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

12-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 146573160
3-(4-dibenzofuran-3-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole
CID 170534453
12-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole;12-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole
CID 158564648
3-phenyl-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 164757806
1-[8-(4-dibenzofuran-2-yl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-9-phenylcarbazole
CID 139342623
3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]carbazole
CID 158508454
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-1-(9-phenylcarbazol-1-yl)-[1]benzofuro[2,3-a]carbazole
CID 171591603
12-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 166953087
7-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-12-phenyl-[1]benzofuro[2,3-a]carbazole
CID 163626734
3-(4-naphtho[1,2-b][1]benzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole
CID 146658073
12-[4-dibenzofuran-3-yl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 163423429
9-[4-dibenzofuran-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-12-phenyl-[1]benzofuro[2,3-a]carbazole
CID 163603085

Frequently Asked Questions

What is the IUPAC name of 12-[4-(9-phenylcarbazol-1-yl)-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole?
The IUPAC name of 12-[4-(9-phenylcarbazol-1-yl)-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole (CID 163786854) is 12-[4-(9-phenylcarbazol-1-yl)-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole.
What is the SMILES notation for 12-[4-(9-phenylcarbazol-1-yl)-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole?
The canonical SMILES for 12-[4-(9-phenylcarbazol-1-yl)-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole is c1ccc(-n2c3ccccc3c3cc(-c4nc(-c5cccc6c7ccccc7n(-c7ccccc7)c56)nc(-n5c6ccccc6c6ccc7c8ccccc8oc7c65)n4)ccc32)cc1.
What is the InChIKey of 12-[4-(9-phenylcarbazol-1-yl)-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole?
The InChIKey is MTHSFTVFTTYMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H34N6O/c1-3-16-36(17-4-1)61-47-26-11-9-22-40(47)46-34-35(30-33-50(46)61)55-58-56(45-25-15-24-42-38-20-7-12-27-48(38)62(52(42)45)37-18-5-2-6-19-37)60-57(59-55)63-49-28-13-8-21-39(49)43-31-32-44-41-23-10-14-29-51(41)64-54(44)53(43)63/h1-34H.
What are the key properties of 12-[4-(9-phenylcarbazol-1-yl)-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole?
12-[4-(9-phenylcarbazol-1-yl)-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole has a molecular weight of 818.94 g/mol, XLogP of 14.40, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[4-(9-phenylcarbazol-1-yl)-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole is sourced from PubChem (CID 163786854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).