3-dibenzofuran-4-yl-9-[4-[4-(3-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole

C46H30N4O — CID 170251153

IUPAC3-dibenzofuran-4-yl-9-[4-[4-(3-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
SMILESCc1cccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc(-c6cccc7c6oc6ccccc67)ccc54)cc3)n2)c1
InChIInChI=1S/C46H30N4O/c1-29-11-9-14-33(27-29)46-48-44(30-12-3-2-4-13-30)47-45(49-46)31-21-24-34(25-22-31)50-40-19-7-5-15-36(40)39-28-32(23-26-41(39)50)35-17-10-18-38-37-16-6-8-20-42(37)51-43(35)38/h2-28H,1H3
InChIKeyZNZAAEGCQYHNHE-UHFFFAOYSA-N
MW654.77 g/mol
LogP11.84
Rot. Bonds5

About 3-dibenzofuran-4-yl-9-[4-[4-(3-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole

3-dibenzofuran-4-yl-9-[4-[4-(3-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole (PubChem CID 170251153) has the molecular formula C46H30N4O and a molecular weight of 654.77 g/mol. Its IUPAC name is 3-dibenzofuran-4-yl-9-[4-[4-(3-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole.

Molecular Properties

Compound Name3-dibenzofuran-4-yl-9-[4-[4-(3-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
PubChem CID170251153
Molecular FormulaC46H30N4O
Molecular Weight654.77 g/mol
Exact Mass654.24
IUPAC Name3-dibenzofuran-4-yl-9-[4-[4-(3-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
SMILESCc1cccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc(-c6cccc7c6oc6ccccc67)ccc54)cc3)n2)c1
InChIInChI=1S/C46H30N4O/c1-29-11-9-14-33(27-29)46-48-44(30-12-3-2-4-13-30)47-45(49-46)31-21-24-34(25-22-31)50-40-19-7-5-15-36(40)39-28-32(23-26-41(39)50)35-17-10-18-38-37-16-6-8-20-42(37)51-43(35)38/h2-28H,1H3
InChIKeyZNZAAEGCQYHNHE-UHFFFAOYSA-N
XLogP11.84
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.77
LogP ≤ 511.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[7-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-9-phenylcarbazole
CID 139342628
9-[4-(4-dibenzofuran-2-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)phenyl]-3-phenylcarbazole
CID 170534356
3-[4-[4-(3-dibenzofuran-4-ylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
CID 126580295
9-[4-[4-(3-butylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-dibenzofuran-4-ylcarbazole
CID 167001652
9-(6-phenyldibenzofuran-2-yl)-3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 170080693
3-dibenzofuran-4-yl-9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole;3-dibenzofuran-4-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-dibenzofuran-4-yl-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]carbazole
CID 164983818
9-[3-[4-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]dibenzofuran-2-yl]phenyl]-3-[3-(3-methylphenyl)phenyl]carbazole
CID 168837481
3-[7-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole;3-[7-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole;3-[7-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole;3-[7-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-9-phenylcarbazole
CID 158642416
3-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole;3-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole;3-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole;3-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-9-phenylcarbazole
CID 159582452
9-phenyl-3-[6-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]dibenzofuran-1-yl]carbazole
CID 163662188
4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 142592678
3-carbazol-9-yl-9-[3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 147108476

Frequently Asked Questions

What is the IUPAC name of 3-dibenzofuran-4-yl-9-[4-[4-(3-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole?
The IUPAC name of 3-dibenzofuran-4-yl-9-[4-[4-(3-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole (CID 170251153) is 3-dibenzofuran-4-yl-9-[4-[4-(3-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole.
What is the SMILES notation for 3-dibenzofuran-4-yl-9-[4-[4-(3-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole?
The canonical SMILES for 3-dibenzofuran-4-yl-9-[4-[4-(3-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole is Cc1cccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc(-c6cccc7c6oc6ccccc67)ccc54)cc3)n2)c1.
What is the InChIKey of 3-dibenzofuran-4-yl-9-[4-[4-(3-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole?
The InChIKey is ZNZAAEGCQYHNHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N4O/c1-29-11-9-14-33(27-29)46-48-44(30-12-3-2-4-13-30)47-45(49-46)31-21-24-34(25-22-31)50-40-19-7-5-15-36(40)39-28-32(23-26-41(39)50)35-17-10-18-38-37-16-6-8-20-42(37)51-43(35)38/h2-28H,1H3.
What are the key properties of 3-dibenzofuran-4-yl-9-[4-[4-(3-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole?
3-dibenzofuran-4-yl-9-[4-[4-(3-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole has a molecular weight of 654.77 g/mol, XLogP of 11.84, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzofuran-4-yl-9-[4-[4-(3-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole is sourced from PubChem (CID 170251153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).