9-[7-[4-methyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-1,9b-dihydrodibenzofuran-1-yl]-3-phenylcarbazole

C46H32N4O — CID 146395829

IUPAC9-[7-[4-methyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-1,9b-dihydrodibenzofuran-1-yl]-3-phenylcarbazole
SMILESCc1nc(-c2cccc(-c3ccccc3)c2)nc(-c2ccc3c(c2)OC2=CC=CC(n4c5ccccc5c5cc(-c6ccccc6)ccc54)C23)n1
InChIInChI=1S/C46H32N4O/c1-29-47-45(34-17-10-16-32(26-34)30-12-4-2-5-13-30)49-46(48-29)35-22-24-37-43(28-35)51-42-21-11-20-41(44(37)42)50-39-19-9-8-18-36(39)38-27-33(23-25-40(38)50)31-14-6-3-7-15-31/h2-28,41,44H,1H3
InChIKeyAEQGGDDVROEQMC-UHFFFAOYSA-N
MW656.79 g/mol
LogP11.13
Rot. Bonds5

About 9-[7-[4-methyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-1,9b-dihydrodibenzofuran-1-yl]-3-phenylcarbazole

9-[7-[4-methyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-1,9b-dihydrodibenzofuran-1-yl]-3-phenylcarbazole (PubChem CID 146395829) has the molecular formula C46H32N4O and a molecular weight of 656.79 g/mol. Its IUPAC name is 9-[7-[4-methyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-1,9b-dihydrodibenzofuran-1-yl]-3-phenylcarbazole.

Molecular Properties

Compound Name9-[7-[4-methyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-1,9b-dihydrodibenzofuran-1-yl]-3-phenylcarbazole
PubChem CID146395829
Molecular FormulaC46H32N4O
Molecular Weight656.79 g/mol
Exact Mass656.26
IUPAC Name9-[7-[4-methyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-1,9b-dihydrodibenzofuran-1-yl]-3-phenylcarbazole
SMILESCc1nc(-c2cccc(-c3ccccc3)c2)nc(-c2ccc3c(c2)OC2=CC=CC(n4c5ccccc5c5cc(-c6ccccc6)ccc54)C23)n1
InChIInChI=1S/C46H32N4O/c1-29-47-45(34-17-10-16-32(26-34)30-12-4-2-5-13-30)49-46(48-29)35-22-24-37-43(28-35)51-42-21-11-20-41(44(37)42)50-39-19-9-8-18-36(39)38-27-33(23-25-40(38)50)31-14-6-3-7-15-31/h2-28,41,44H,1H3
InChIKeyAEQGGDDVROEQMC-UHFFFAOYSA-N
XLogP11.13
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.79
LogP ≤ 511.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-phenyl-9-[4-[3-(9-phenylcarbazol-3-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 137401861
3-[9-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 58511500
9-(8-phenyldibenzofuran-2-yl)-3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 170080657
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 162483719
3-(9-phenylcarbazol-3-yl)-9-[3-[4-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 134236877
3-(9-phenylcarbazol-3-yl)-9-[4-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 134236821
3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 158317836
3-(3-carbazol-9-ylphenyl)-6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole
CID 58943700
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(3-phenylphenyl)carbazol-9-yl]phenyl]-3-(3-phenylphenyl)carbazole
CID 150934071
9-[4-(3-phenylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 176831267
3-[9-[3-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]-5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 134237073
3-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-9-(9-phenylcarbazol-3-yl)carbazole;3-[9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-9-(9-phenylcarbazol-3-yl)carbazole
CID 158365808

Frequently Asked Questions

What is the IUPAC name of 9-[7-[4-methyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-1,9b-dihydrodibenzofuran-1-yl]-3-phenylcarbazole?
The IUPAC name of 9-[7-[4-methyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-1,9b-dihydrodibenzofuran-1-yl]-3-phenylcarbazole (CID 146395829) is 9-[7-[4-methyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-1,9b-dihydrodibenzofuran-1-yl]-3-phenylcarbazole.
What is the SMILES notation for 9-[7-[4-methyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-1,9b-dihydrodibenzofuran-1-yl]-3-phenylcarbazole?
The canonical SMILES for 9-[7-[4-methyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-1,9b-dihydrodibenzofuran-1-yl]-3-phenylcarbazole is Cc1nc(-c2cccc(-c3ccccc3)c2)nc(-c2ccc3c(c2)OC2=CC=CC(n4c5ccccc5c5cc(-c6ccccc6)ccc54)C23)n1.
What is the InChIKey of 9-[7-[4-methyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-1,9b-dihydrodibenzofuran-1-yl]-3-phenylcarbazole?
The InChIKey is AEQGGDDVROEQMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32N4O/c1-29-47-45(34-17-10-16-32(26-34)30-12-4-2-5-13-30)49-46(48-29)35-22-24-37-43(28-35)51-42-21-11-20-41(44(37)42)50-39-19-9-8-18-36(39)38-27-33(23-25-40(38)50)31-14-6-3-7-15-31/h2-28,41,44H,1H3.
What are the key properties of 9-[7-[4-methyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-1,9b-dihydrodibenzofuran-1-yl]-3-phenylcarbazole?
9-[7-[4-methyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-1,9b-dihydrodibenzofuran-1-yl]-3-phenylcarbazole has a molecular weight of 656.79 g/mol, XLogP of 11.13, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[7-[4-methyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-1,9b-dihydrodibenzofuran-1-yl]-3-phenylcarbazole is sourced from PubChem (CID 146395829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).