3-(7-butyldibenzofuran-2-yl)-9-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole

C55H38N4O2 — CID 167001586

IUPAC3-(7-butyldibenzofuran-2-yl)-9-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole
SMILESCCCCc1ccc2c(c1)oc1ccc(-c3ccc4c(c3)c3ccccc3n4-c3cccc(-c4nc(-c5ccccc5)nc(-c5cccc6oc7ccccc7c56)n4)c3)cc12
InChIInChI=1S/C55H38N4O2/c1-2-3-13-34-24-27-41-45-33-37(26-29-49(45)61-51(41)30-34)36-25-28-47-44(32-36)40-18-7-9-21-46(40)59(47)39-17-11-16-38(31-39)54-56-53(35-14-5-4-6-15-35)57-55(58-54)43-20-12-23-50-52(43)42-19-8-10-22-48(42)60-50/h4-12,14-33H,2-3,13H2,1H3
InChIKeyCEPPMQMTTWJZOG-UHFFFAOYSA-N
MW786.94 g/mol
LogP14.78
Rot. Bonds8

About 3-(7-butyldibenzofuran-2-yl)-9-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole

3-(7-butyldibenzofuran-2-yl)-9-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole (PubChem CID 167001586) has the molecular formula C55H38N4O2 and a molecular weight of 786.94 g/mol. Its IUPAC name is 3-(7-butyldibenzofuran-2-yl)-9-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole.

Molecular Properties

Compound Name3-(7-butyldibenzofuran-2-yl)-9-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole
PubChem CID167001586
Molecular FormulaC55H38N4O2
Molecular Weight786.94 g/mol
Exact Mass786.30
IUPAC Name3-(7-butyldibenzofuran-2-yl)-9-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole
SMILESCCCCc1ccc2c(c1)oc1ccc(-c3ccc4c(c3)c3ccccc3n4-c3cccc(-c4nc(-c5ccccc5)nc(-c5cccc6oc7ccccc7c56)n4)c3)cc12
InChIInChI=1S/C55H38N4O2/c1-2-3-13-34-24-27-41-45-33-37(26-29-49(45)61-51(41)30-34)36-25-28-47-44(32-36)40-18-7-9-21-46(40)59(47)39-17-11-16-38(31-39)54-56-53(35-14-5-4-6-15-35)57-55(58-54)43-20-12-23-50-52(43)42-19-8-10-22-48(42)60-50/h4-12,14-33H,2-3,13H2,1H3
InChIKeyCEPPMQMTTWJZOG-UHFFFAOYSA-N
XLogP14.78
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500786.94
LogP ≤ 514.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(7-butyldibenzofuran-2-yl)-9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole
CID 167001435
2-(7-butyldibenzofuran-3-yl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 167001548
9-(3-phenylphenyl)-3-[9-[4-phenyl-6-(7-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole
CID 168767909
3-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-(3-phenylphenyl)carbazole
CID 168767935
3-[8-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 139338453
3-[9-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 118888276
2-(7-butyldibenzofuran-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 167001587
9-(3-phenylphenyl)-3-[9-[4-(4-phenylphenyl)-6-[8-[9-(3-phenylphenyl)carbazol-3-yl]dibenzofuran-1-yl]-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole
CID 167377446
9-[3-[4-(8-dibenzofuran-1-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 162780137
9-[3-(4-carbazol-9-yl-6-dibenzofuran-1-yl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[3-(4-carbazol-9-yl-6-dibenzofuran-2-yl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[3-(4-carbazol-9-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 163497204
9-phenyl-3-[9-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole
CID 168767897
3-[3-[3-[9-[4-(4-dibenzofuran-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]phenyl]phenyl]-9-phenylcarbazole
CID 168768477

Frequently Asked Questions

What is the IUPAC name of 3-(7-butyldibenzofuran-2-yl)-9-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole?
The IUPAC name of 3-(7-butyldibenzofuran-2-yl)-9-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole (CID 167001586) is 3-(7-butyldibenzofuran-2-yl)-9-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole.
What is the SMILES notation for 3-(7-butyldibenzofuran-2-yl)-9-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole?
The canonical SMILES for 3-(7-butyldibenzofuran-2-yl)-9-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole is CCCCc1ccc2c(c1)oc1ccc(-c3ccc4c(c3)c3ccccc3n4-c3cccc(-c4nc(-c5ccccc5)nc(-c5cccc6oc7ccccc7c56)n4)c3)cc12.
What is the InChIKey of 3-(7-butyldibenzofuran-2-yl)-9-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole?
The InChIKey is CEPPMQMTTWJZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H38N4O2/c1-2-3-13-34-24-27-41-45-33-37(26-29-49(45)61-51(41)30-34)36-25-28-47-44(32-36)40-18-7-9-21-46(40)59(47)39-17-11-16-38(31-39)54-56-53(35-14-5-4-6-15-35)57-55(58-54)43-20-12-23-50-52(43)42-19-8-10-22-48(42)60-50/h4-12,14-33H,2-3,13H2,1H3.
What are the key properties of 3-(7-butyldibenzofuran-2-yl)-9-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole?
3-(7-butyldibenzofuran-2-yl)-9-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole has a molecular weight of 786.94 g/mol, XLogP of 14.78, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-butyldibenzofuran-2-yl)-9-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole is sourced from PubChem (CID 167001586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).