3-[9-(4-dibenzofuran-2-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole

C55H32N4O2 — CID 163486477

IUPAC3-[9-(4-dibenzofuran-2-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4cccc5oc6cccc(-c7nc(-c8ccc9ccccc9c8)nc(-c8ccc9oc%10ccccc%10c9c8)n7)c6c45)ccc32)cc1
InChIInChI=1S/C55H32N4O2/c1-2-14-38(15-3-1)59-45-20-8-6-16-40(45)43-31-35(26-28-46(43)59)39-18-10-22-49-51(39)52-42(19-11-23-50(52)61-49)55-57-53(36-25-24-33-12-4-5-13-34(33)30-36)56-54(58-55)37-27-29-48-44(32-37)41-17-7-9-21-47(41)60-48/h1-32H
InChIKeyCIZGDBSNERUZHU-UHFFFAOYSA-N
MW780.89 g/mol
LogP14.59
Rot. Bonds5

About 3-[9-(4-dibenzofuran-2-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole

3-[9-(4-dibenzofuran-2-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole (PubChem CID 163486477) has the molecular formula C55H32N4O2 and a molecular weight of 780.89 g/mol. Its IUPAC name is 3-[9-(4-dibenzofuran-2-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[9-(4-dibenzofuran-2-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole
PubChem CID163486477
Molecular FormulaC55H32N4O2
Molecular Weight780.89 g/mol
Exact Mass780.25
IUPAC Name3-[9-(4-dibenzofuran-2-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4cccc5oc6cccc(-c7nc(-c8ccc9ccccc9c8)nc(-c8ccc9oc%10ccccc%10c9c8)n7)c6c45)ccc32)cc1
InChIInChI=1S/C55H32N4O2/c1-2-14-38(15-3-1)59-45-20-8-6-16-40(45)43-31-35(26-28-46(43)59)39-18-10-22-49-51(39)52-42(19-11-23-50(52)61-49)55-57-53(36-25-24-33-12-4-5-13-34(33)30-36)56-54(58-55)37-27-29-48-44(32-37)41-17-7-9-21-47(41)60-48/h1-32H
InChIKeyCIZGDBSNERUZHU-UHFFFAOYSA-N
XLogP14.59
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500780.89
LogP ≤ 514.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[9-[4-naphthalen-2-yl-6-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 167377389
3-[7-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole
CID 139342726
3-[2-[9-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-9-phenylcarbazole
CID 168768529
3-[8-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 139338453
3-[2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-9-phenylcarbazole
CID 118507827
3-(4-naphthalen-2-yl-6-naphtho[2,3-b][1]benzofuran-2-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole
CID 163772071
3-[2-[2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]phenyl]-9-phenylcarbazole
CID 154602257
3-[9-[9-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 168767734
3-[9-[9-[4-(4-dibenzofuran-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 168768803
9-[4-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 167031824
3-[2-[9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-9-phenylcarbazole
CID 168768287
2-[6-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole
CID 139342501

Frequently Asked Questions

What is the IUPAC name of 3-[9-(4-dibenzofuran-2-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole?
The IUPAC name of 3-[9-(4-dibenzofuran-2-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole (CID 163486477) is 3-[9-(4-dibenzofuran-2-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[9-(4-dibenzofuran-2-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[9-(4-dibenzofuran-2-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3cc(-c4cccc5oc6cccc(-c7nc(-c8ccc9ccccc9c8)nc(-c8ccc9oc%10ccccc%10c9c8)n7)c6c45)ccc32)cc1.
What is the InChIKey of 3-[9-(4-dibenzofuran-2-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole?
The InChIKey is CIZGDBSNERUZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H32N4O2/c1-2-14-38(15-3-1)59-45-20-8-6-16-40(45)43-31-35(26-28-46(43)59)39-18-10-22-49-51(39)52-42(19-11-23-50(52)61-49)55-57-53(36-25-24-33-12-4-5-13-34(33)30-36)56-54(58-55)37-27-29-48-44(32-37)41-17-7-9-21-47(41)60-48/h1-32H.
What are the key properties of 3-[9-(4-dibenzofuran-2-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole?
3-[9-(4-dibenzofuran-2-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole has a molecular weight of 780.89 g/mol, XLogP of 14.59, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(4-dibenzofuran-2-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole is sourced from PubChem (CID 163486477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).