9-[7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-1-phenyldibenzofuran-3-yl]-3-phenylcarbazole

C55H34N4O — CID 166496032

IUPAC9-[7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-1-phenyldibenzofuran-3-yl]-3-phenylcarbazole
SMILESc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3ccccc3)c3c(c2)oc2cc(-c4nc(-c5ccccc5)nc(-c5ccc6ccccc6c5)n4)ccc23)cc1
InChIInChI=1S/C55H34N4O/c1-4-14-35(15-5-1)40-27-29-49-47(31-40)44-22-12-13-23-48(44)59(49)43-33-46(37-17-6-2-7-18-37)52-45-28-26-42(32-50(45)60-51(52)34-43)55-57-53(38-19-8-3-9-20-38)56-54(58-55)41-25-24-36-16-10-11-21-39(36)30-41/h1-34H
InChIKeyAYOFJVUNEOTAQC-UHFFFAOYSA-N
MW766.90 g/mol
LogP14.36
Rot. Bonds6

About 9-[7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-1-phenyldibenzofuran-3-yl]-3-phenylcarbazole

9-[7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-1-phenyldibenzofuran-3-yl]-3-phenylcarbazole (PubChem CID 166496032) has the molecular formula C55H34N4O and a molecular weight of 766.90 g/mol. Its IUPAC name is 9-[7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-1-phenyldibenzofuran-3-yl]-3-phenylcarbazole.

Molecular Properties

Compound Name9-[7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-1-phenyldibenzofuran-3-yl]-3-phenylcarbazole
PubChem CID166496032
Molecular FormulaC55H34N4O
Molecular Weight766.90 g/mol
Exact Mass766.27
IUPAC Name9-[7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-1-phenyldibenzofuran-3-yl]-3-phenylcarbazole
SMILESc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3ccccc3)c3c(c2)oc2cc(-c4nc(-c5ccccc5)nc(-c5ccc6ccccc6c5)n4)ccc23)cc1
InChIInChI=1S/C55H34N4O/c1-4-14-35(15-5-1)40-27-29-49-47(31-40)44-22-12-13-23-48(44)59(49)43-33-46(37-17-6-2-7-18-37)52-45-28-26-42(32-50(45)60-51(52)34-43)55-57-53(38-19-8-3-9-20-38)56-54(58-55)41-25-24-36-16-10-11-21-39(36)30-41/h1-34H
InChIKeyAYOFJVUNEOTAQC-UHFFFAOYSA-N
XLogP14.36
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500766.90
LogP ≤ 514.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-phenyldibenzofuran-3-yl]benzo[b]carbazole
CID 166495763
9-[1-phenyl-7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole
CID 166496025
5-[1-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[b]carbazole
CID 164714928
9-[7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-1-phenyldibenzofuran-4-yl]-3-phenylcarbazole
CID 166496041
9-[7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-4-phenyldibenzofuran-2-yl]carbazole
CID 166495942
7-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-3-yl]benzo[c]carbazole
CID 170253549
5-[1-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-3-yl]benzo[b]carbazole
CID 164714701
5-[1-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole
CID 164715042
3-[7-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole
CID 139342726
9-[9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-3-phenyldibenzofuran-1-yl]-3-phenylcarbazole
CID 166495749
9-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-3-yl]-2-phenylcarbazole;9-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-3-yl]-2-phenylcarbazole;9-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-3-yl]-3-phenylcarbazole
CID 157148440
5-[1-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[b]carbazole;5-[1-(4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[b]carbazole;5-[1-(4-naphthalen-1-yl-6-phenanthren-9-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[b]carbazole;5-[1-[4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole
CID 165046087

Frequently Asked Questions

What is the IUPAC name of 9-[7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-1-phenyldibenzofuran-3-yl]-3-phenylcarbazole?
The IUPAC name of 9-[7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-1-phenyldibenzofuran-3-yl]-3-phenylcarbazole (CID 166496032) is 9-[7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-1-phenyldibenzofuran-3-yl]-3-phenylcarbazole.
What is the SMILES notation for 9-[7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-1-phenyldibenzofuran-3-yl]-3-phenylcarbazole?
The canonical SMILES for 9-[7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-1-phenyldibenzofuran-3-yl]-3-phenylcarbazole is c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3ccccc3)c3c(c2)oc2cc(-c4nc(-c5ccccc5)nc(-c5ccc6ccccc6c5)n4)ccc23)cc1.
What is the InChIKey of 9-[7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-1-phenyldibenzofuran-3-yl]-3-phenylcarbazole?
The InChIKey is AYOFJVUNEOTAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H34N4O/c1-4-14-35(15-5-1)40-27-29-49-47(31-40)44-22-12-13-23-48(44)59(49)43-33-46(37-17-6-2-7-18-37)52-45-28-26-42(32-50(45)60-51(52)34-43)55-57-53(38-19-8-3-9-20-38)56-54(58-55)41-25-24-36-16-10-11-21-39(36)30-41/h1-34H.
What are the key properties of 9-[7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-1-phenyldibenzofuran-3-yl]-3-phenylcarbazole?
9-[7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-1-phenyldibenzofuran-3-yl]-3-phenylcarbazole has a molecular weight of 766.90 g/mol, XLogP of 14.36, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-1-phenyldibenzofuran-3-yl]-3-phenylcarbazole is sourced from PubChem (CID 166496032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).