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

C45H26N4O2 — CID 165103058

IUPAC2-dibenzofuran-1-yl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-n3c4cc(-c5cccc6oc7ccccc7c56)ccc4c4ccc5c6ccccc6oc5c43)n2)cc1
InChIInChI=1S/C45H26N4O2/c1-3-12-27(13-4-1)43-46-44(28-14-5-2-6-15-28)48-45(47-43)49-36-26-29(30-18-11-21-39-40(30)35-17-8-10-20-38(35)50-39)22-23-31(36)33-24-25-34-32-16-7-9-19-37(32)51-42(34)41(33)49/h1-26H
InChIKeyBDQHDPGOGRHVQQ-UHFFFAOYSA-N
MW654.73 g/mol
LogP11.77
Rot. Bonds4

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

2-dibenzofuran-1-yl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole (PubChem CID 165103058) has the molecular formula C45H26N4O2 and a molecular weight of 654.73 g/mol. Its IUPAC name is 2-dibenzofuran-1-yl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole.

Molecular Properties

Compound Name2-dibenzofuran-1-yl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole
PubChem CID165103058
Molecular FormulaC45H26N4O2
Molecular Weight654.73 g/mol
Exact Mass654.21
IUPAC Name2-dibenzofuran-1-yl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-n3c4cc(-c5cccc6oc7ccccc7c56)ccc4c4ccc5c6ccccc6oc5c43)n2)cc1
InChIInChI=1S/C45H26N4O2/c1-3-12-27(13-4-1)43-46-44(28-14-5-2-6-15-28)48-45(47-43)49-36-26-29(30-18-11-21-39-40(30)35-17-8-10-20-38(35)50-39)22-23-31(36)33-24-25-34-32-16-7-9-19-37(32)51-42(34)41(33)49/h1-26H
InChIKeyBDQHDPGOGRHVQQ-UHFFFAOYSA-N
XLogP11.77
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.73
LogP ≤ 511.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

12-[4-dibenzofuran-3-yl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 163423429
12-[4-phenyl-6-[4-(9-phenyldibenzofuran-3-yl)phenyl]-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 164933118
1-phenyl-12-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 164932839
12-[4-phenyl-6-[3-[2-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 163732544
9-[4-[4-(7-dibenzofuran-4-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358295
12-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 166953087
12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-7-phenyl-[1]benzofuro[2,3-a]carbazole
CID 164757785
9-[4-(7-dibenzofuran-1-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358254
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-phenyl-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole;4-phenyl-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 164994834
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-(4-phenylphenyl)-[1]benzofuro[2,3-a]carbazole
CID 164757797
9-[4-(3-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 160515584

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-1-yl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole?
The IUPAC name of 2-dibenzofuran-1-yl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole (CID 165103058) is 2-dibenzofuran-1-yl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole.
What is the SMILES notation for 2-dibenzofuran-1-yl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole?
The canonical SMILES for 2-dibenzofuran-1-yl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-n3c4cc(-c5cccc6oc7ccccc7c56)ccc4c4ccc5c6ccccc6oc5c43)n2)cc1.
What is the InChIKey of 2-dibenzofuran-1-yl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole?
The InChIKey is BDQHDPGOGRHVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H26N4O2/c1-3-12-27(13-4-1)43-46-44(28-14-5-2-6-15-28)48-45(47-43)49-36-26-29(30-18-11-21-39-40(30)35-17-8-10-20-38(35)50-39)22-23-31(36)33-24-25-34-32-16-7-9-19-37(32)51-42(34)41(33)49/h1-26H.
What are the key properties of 2-dibenzofuran-1-yl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole?
2-dibenzofuran-1-yl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole has a molecular weight of 654.73 g/mol, XLogP of 11.77, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-1-yl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole is sourced from PubChem (CID 165103058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).