2-(8-butyldibenzofuran-3-yl)-9-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole

C55H40N4O — CID 167001647

IUPAC2-(8-butyldibenzofuran-3-yl)-9-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
SMILESCCCCc1ccc2oc3cc(-c4ccc5c6ccccc6n(-c6ccccc6-c6nc(-c7ccccc7)nc(-c7cccc(-c8ccccc8)c7)n6)c5c4)ccc3c2c1
InChIInChI=1S/C55H40N4O/c1-2-3-15-36-26-31-51-47(32-36)45-30-28-41(35-52(45)60-51)40-27-29-44-43-22-10-12-24-48(43)59(50(44)34-40)49-25-13-11-23-46(49)55-57-53(38-18-8-5-9-19-38)56-54(58-55)42-21-14-20-39(33-42)37-16-6-4-7-17-37/h4-14,16-35H,2-3,15H2,1H3
InChIKeyKBSNNWKYWAHDFZ-UHFFFAOYSA-N
MW772.95 g/mol
LogP14.55
Rot. Bonds9

About 2-(8-butyldibenzofuran-3-yl)-9-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole

2-(8-butyldibenzofuran-3-yl)-9-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole (PubChem CID 167001647) has the molecular formula C55H40N4O and a molecular weight of 772.95 g/mol. Its IUPAC name is 2-(8-butyldibenzofuran-3-yl)-9-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole.

Molecular Properties

Compound Name2-(8-butyldibenzofuran-3-yl)-9-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
PubChem CID167001647
Molecular FormulaC55H40N4O
Molecular Weight772.95 g/mol
Exact Mass772.32
IUPAC Name2-(8-butyldibenzofuran-3-yl)-9-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
SMILESCCCCc1ccc2oc3cc(-c4ccc5c6ccccc6n(-c6ccccc6-c6nc(-c7ccccc7)nc(-c7cccc(-c8ccccc8)c7)n6)c5c4)ccc3c2c1
InChIInChI=1S/C55H40N4O/c1-2-3-15-36-26-31-51-47(32-36)45-30-28-41(35-52(45)60-51)40-27-29-44-43-22-10-12-24-48(43)59(50(44)34-40)49-25-13-11-23-46(49)55-57-53(38-18-8-5-9-19-38)56-54(58-55)42-21-14-20-39(33-42)37-16-6-4-7-17-37/h4-14,16-35H,2-3,15H2,1H3
InChIKeyKBSNNWKYWAHDFZ-UHFFFAOYSA-N
XLogP14.55
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500772.95
LogP ≤ 514.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(7-butyldibenzofuran-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 167001587
2-(7-butyldibenzofuran-2-yl)-9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole
CID 167001435
3-dibenzofuran-2-yl-9-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 164956340
2-(7-butyldibenzofuran-3-yl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 167001548
12-[2-[4-(4-butylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 166953804
3-dibenzofuran-3-yl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 165007385
2-(7-butyldibenzofuran-2-yl)-9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole
CID 167001737
3-(7-butyldibenzofuran-2-yl)-9-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 167001586
11-[2-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-b]carbazole
CID 164932870
9-[4-dibenzofuran-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(4-methylphenyl)carbazole
CID 155232493
9-[2-[7-[4-dibenzofuran-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]phenyl]carbazole
CID 176607657
9-[2-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-phenyl-5-(9-phenylcarbazol-4-yl)carbazole
CID 174273466

Frequently Asked Questions

What is the IUPAC name of 2-(8-butyldibenzofuran-3-yl)-9-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole?
The IUPAC name of 2-(8-butyldibenzofuran-3-yl)-9-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole (CID 167001647) is 2-(8-butyldibenzofuran-3-yl)-9-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole.
What is the SMILES notation for 2-(8-butyldibenzofuran-3-yl)-9-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole?
The canonical SMILES for 2-(8-butyldibenzofuran-3-yl)-9-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole is CCCCc1ccc2oc3cc(-c4ccc5c6ccccc6n(-c6ccccc6-c6nc(-c7ccccc7)nc(-c7cccc(-c8ccccc8)c7)n6)c5c4)ccc3c2c1.
What is the InChIKey of 2-(8-butyldibenzofuran-3-yl)-9-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole?
The InChIKey is KBSNNWKYWAHDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H40N4O/c1-2-3-15-36-26-31-51-47(32-36)45-30-28-41(35-52(45)60-51)40-27-29-44-43-22-10-12-24-48(43)59(50(44)34-40)49-25-13-11-23-46(49)55-57-53(38-18-8-5-9-19-38)56-54(58-55)42-21-14-20-39(33-42)37-16-6-4-7-17-37/h4-14,16-35H,2-3,15H2,1H3.
What are the key properties of 2-(8-butyldibenzofuran-3-yl)-9-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole?
2-(8-butyldibenzofuran-3-yl)-9-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole has a molecular weight of 772.95 g/mol, XLogP of 14.55, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-butyldibenzofuran-3-yl)-9-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole is sourced from PubChem (CID 167001647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).