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

C45H28N4O — CID 164954379

IUPAC3-dibenzofuran-3-yl-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5cc(-c6ccc7c(c6)oc6ccccc67)ccc54)n3)cc2)cc1
InChIInChI=1S/C45H28N4O/c1-3-11-29(12-4-1)30-19-21-32(22-20-30)44-46-43(31-13-5-2-6-14-31)47-45(48-44)49-39-17-9-7-15-35(39)38-27-33(24-26-40(38)49)34-23-25-37-36-16-8-10-18-41(36)50-42(37)28-34/h1-28H
InChIKeyQGMQPAAGPYZUKB-UHFFFAOYSA-N
MW640.75 g/mol
LogP11.54
Rot. Bonds5

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

3-dibenzofuran-3-yl-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole (PubChem CID 164954379) has the molecular formula C45H28N4O and a molecular weight of 640.75 g/mol. Its IUPAC name is 3-dibenzofuran-3-yl-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole.

Molecular Properties

Compound Name3-dibenzofuran-3-yl-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
PubChem CID164954379
Molecular FormulaC45H28N4O
Molecular Weight640.75 g/mol
Exact Mass640.23
IUPAC Name3-dibenzofuran-3-yl-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5cc(-c6ccc7c(c6)oc6ccccc67)ccc54)n3)cc2)cc1
InChIInChI=1S/C45H28N4O/c1-3-11-29(12-4-1)30-19-21-32(22-20-30)44-46-43(31-13-5-2-6-14-31)47-45(48-44)49-39-17-9-7-15-35(39)38-27-33(24-26-40(38)49)34-23-25-37-36-16-8-10-18-41(36)50-42(37)28-34/h1-28H
InChIKeyQGMQPAAGPYZUKB-UHFFFAOYSA-N
XLogP11.54
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.75
LogP ≤ 511.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-3-phenylcarbazole
CID 154978544
9-[4-(7-dibenzofuran-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358257
9-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 164821915
3-dibenzofuran-3-yl-9-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 164998334
11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)indolo[3,2-b]carbazole
CID 146641949
3-[7-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole
CID 158642418
9-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(3,5-diphenylphenyl)carbazole
CID 135144062
9-phenyl-3-[3-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]carbazole
CID 166009381
3-phenyl-9-[4-phenyl-6-[3-(7-phenyldibenzofuran-1-yl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 167293093
9-[4-dibenzofuran-3-yl-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 162504501
9-[4-(7-methyldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 165051640
9-[4-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 138747351

Frequently Asked Questions

What is the IUPAC name of 3-dibenzofuran-3-yl-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole?
The IUPAC name of 3-dibenzofuran-3-yl-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole (CID 164954379) is 3-dibenzofuran-3-yl-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole.
What is the SMILES notation for 3-dibenzofuran-3-yl-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole?
The canonical SMILES for 3-dibenzofuran-3-yl-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5cc(-c6ccc7c(c6)oc6ccccc67)ccc54)n3)cc2)cc1.
What is the InChIKey of 3-dibenzofuran-3-yl-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole?
The InChIKey is QGMQPAAGPYZUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28N4O/c1-3-11-29(12-4-1)30-19-21-32(22-20-30)44-46-43(31-13-5-2-6-14-31)47-45(48-44)49-39-17-9-7-15-35(39)38-27-33(24-26-40(38)49)34-23-25-37-36-16-8-10-18-41(36)50-42(37)28-34/h1-28H.
What are the key properties of 3-dibenzofuran-3-yl-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole?
3-dibenzofuran-3-yl-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole has a molecular weight of 640.75 g/mol, XLogP of 11.54, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzofuran-3-yl-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole is sourced from PubChem (CID 164954379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).