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

C45H28N4O — CID 142377722

IUPAC9-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(3-phenylphenyl)carbazole
SMILESc1ccc(-c2cccc(-c3ccc4c5ccccc5n(-c5nc(-c6ccccc6)nc(-c6cccc7c6oc6ccccc67)n5)c4c3)c2)cc1
InChIInChI=1S/C45H28N4O/c1-3-13-29(14-4-1)31-17-11-18-32(27-31)33-25-26-35-34-19-7-9-23-39(34)49(40(35)28-33)45-47-43(30-15-5-2-6-16-30)46-44(48-45)38-22-12-21-37-36-20-8-10-24-41(36)50-42(37)38/h1-28H
InChIKeyPEGNRSPMDACULY-UHFFFAOYSA-N
MW640.75 g/mol
LogP11.54
Rot. Bonds5

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

9-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(3-phenylphenyl)carbazole (PubChem CID 142377722) has the molecular formula C45H28N4O and a molecular weight of 640.75 g/mol. Its IUPAC name is 9-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(3-phenylphenyl)carbazole.

Molecular Properties

Compound Name9-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(3-phenylphenyl)carbazole
PubChem CID142377722
Molecular FormulaC45H28N4O
Molecular Weight640.75 g/mol
Exact Mass640.23
IUPAC Name9-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(3-phenylphenyl)carbazole
SMILESc1ccc(-c2cccc(-c3ccc4c5ccccc5n(-c5nc(-c6ccccc6)nc(-c6cccc7c6oc6ccccc67)n5)c4c3)c2)cc1
InChIInChI=1S/C45H28N4O/c1-3-13-29(14-4-1)31-17-11-18-32(27-31)33-25-26-35-34-19-7-9-23-39(34)49(40(35)28-33)45-47-43(30-15-5-2-6-16-30)46-44(48-45)38-22-12-21-37-36-20-8-10-24-41(36)50-42(37)38/h1-28H
InChIKeyPEGNRSPMDACULY-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

11-[4-dibenzofuran-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]carbazole
CID 118153977
9-[4-carbazol-9-yl-6-[3-(4-dibenzofuran-4-ylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 168742643
9-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 146572704
9-[6-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-2-phenylcarbazole
CID 163961346
2-[4-[4-dibenzofuran-4-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole
CID 165160169
9-[4-phenyl-6-[4-[3-(6-phenyldibenzofuran-2-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 155445919
9-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-6-phenyl-1,3,5-triazin-2-yl]-4-phenylcarbazole;9-[4-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole;9-[4-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]-6-phenyl-1,3,5-triazin-2-yl]-2-phenylcarbazole
CID 160965442
9-[4-(3-naphtho[1,2-b][1]benzofuran-4-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 146658603
2-dibenzofuran-4-yl-9-[3-phenyl-4-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 163669259
2-dibenzofuran-4-yl-9-[3-phenyl-4-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole;2-dibenzofuran-4-yl-9-[3-phenyl-4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 165001120
9-[4-(6-phenyldibenzofuran-2-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;9-[4-phenyl-6-(6-phenyldibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazole;9-[4-phenyl-6-(7-phenyldibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazole
CID 164978383
9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4-phenylphenyl)carbazole
CID 142377731

Frequently Asked Questions

What is the IUPAC name of 9-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(3-phenylphenyl)carbazole?
The IUPAC name of 9-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(3-phenylphenyl)carbazole (CID 142377722) is 9-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(3-phenylphenyl)carbazole.
What is the SMILES notation for 9-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(3-phenylphenyl)carbazole?
The canonical SMILES for 9-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(3-phenylphenyl)carbazole is c1ccc(-c2cccc(-c3ccc4c5ccccc5n(-c5nc(-c6ccccc6)nc(-c6cccc7c6oc6ccccc67)n5)c4c3)c2)cc1.
What is the InChIKey of 9-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(3-phenylphenyl)carbazole?
The InChIKey is PEGNRSPMDACULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28N4O/c1-3-13-29(14-4-1)31-17-11-18-32(27-31)33-25-26-35-34-19-7-9-23-39(34)49(40(35)28-33)45-47-43(30-15-5-2-6-16-30)46-44(48-45)38-22-12-21-37-36-20-8-10-24-41(36)50-42(37)38/h1-28H.
What are the key properties of 9-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(3-phenylphenyl)carbazole?
9-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(3-phenylphenyl)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 9-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(3-phenylphenyl)carbazole is sourced from PubChem (CID 142377722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).