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

C45H26N4O2 — CID 146976667

IUPAC12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-[1]benzofuro[3,2-a]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-n4c5ccccc5c5ccc6oc7ccccc7c6c54)c4c(c3)oc3ccccc34)n2)cc1
InChIInChI=1S/C45H26N4O2/c1-3-13-27(14-4-1)43-46-44(28-15-5-2-6-16-28)48-45(47-43)29-25-35(40-32-18-8-11-21-36(32)51-39(40)26-29)49-34-20-10-7-17-30(34)31-23-24-38-41(42(31)49)33-19-9-12-22-37(33)50-38/h1-26H
InChIKeyANMMZXORUBCDFQ-UHFFFAOYSA-N
MW654.73 g/mol
LogP11.77
Rot. Bonds4

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

12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-[1]benzofuro[3,2-a]carbazole (PubChem CID 146976667) has the molecular formula C45H26N4O2 and a molecular weight of 654.73 g/mol. Its IUPAC name is 12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-[1]benzofuro[3,2-a]carbazole.

Molecular Properties

Compound Name12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-[1]benzofuro[3,2-a]carbazole
PubChem CID146976667
Molecular FormulaC45H26N4O2
Molecular Weight654.73 g/mol
Exact Mass654.21
IUPAC Name12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-[1]benzofuro[3,2-a]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-n4c5ccccc5c5ccc6oc7ccccc7c6c54)c4c(c3)oc3ccccc34)n2)cc1
InChIInChI=1S/C45H26N4O2/c1-3-13-27(14-4-1)43-46-44(28-15-5-2-6-16-28)48-45(47-43)29-25-35(40-32-18-8-11-21-36(32)51-39(40)26-29)49-34-20-10-7-17-30(34)31-23-24-38-41(42(31)49)33-19-9-12-22-37(33)50-38/h1-26H
InChIKeyANMMZXORUBCDFQ-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

11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[a]carbazole
CID 164847730
12-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-[1]benzofuro[3,2-a]carbazole
CID 146280449
12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-a]carbazole
CID 129141729
12-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-a]carbazole
CID 176837422
12-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-a]carbazole
CID 164954211
12-[3-[4,6-bis[3-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-a]carbazole
CID 126630971
12-[2-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-a]carbazole
CID 164932814
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,12-diphenyl-[1]benzofuro[3,2-a]carbazole
CID 163848310
12-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-a]carbazole
CID 118888305
2-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-(4-phenylphenyl)-[1]benzofuro[3,2-a]carbazole
CID 163629204
9-[3-phenyl-7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]carbazole
CID 166495709
12-phenyl-3-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-a]carbazole
CID 163960395

Frequently Asked Questions

What is the IUPAC name of 12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-[1]benzofuro[3,2-a]carbazole?
The IUPAC name of 12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-[1]benzofuro[3,2-a]carbazole (CID 146976667) is 12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-[1]benzofuro[3,2-a]carbazole.
What is the SMILES notation for 12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-[1]benzofuro[3,2-a]carbazole?
The canonical SMILES for 12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-[1]benzofuro[3,2-a]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-n4c5ccccc5c5ccc6oc7ccccc7c6c54)c4c(c3)oc3ccccc34)n2)cc1.
What is the InChIKey of 12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-[1]benzofuro[3,2-a]carbazole?
The InChIKey is ANMMZXORUBCDFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H26N4O2/c1-3-13-27(14-4-1)43-46-44(28-15-5-2-6-16-28)48-45(47-43)29-25-35(40-32-18-8-11-21-36(32)51-39(40)26-29)49-34-20-10-7-17-30(34)31-23-24-38-41(42(31)49)33-19-9-12-22-37(33)50-38/h1-26H.
What are the key properties of 12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-[1]benzofuro[3,2-a]carbazole?
12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-[1]benzofuro[3,2-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 12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-[1]benzofuro[3,2-a]carbazole is sourced from PubChem (CID 146976667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).