1-(4-dibenzofuran-2-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-9-naphthalen-2-ylcarbazole

C49H28N4O2 — CID 170534647

IUPAC1-(4-dibenzofuran-2-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-9-naphthalen-2-ylcarbazole
SMILESc1ccc2cc(-n3c4ccccc4c4cccc(-c5nc(-c6ccc7oc8ccccc8c7c6)nc(-c6cccc7c6oc6ccccc67)n5)c43)ccc2c1
InChIInChI=1S/C49H28N4O2/c1-2-12-30-27-32(25-23-29(30)11-1)53-41-20-6-3-13-33(41)36-16-9-18-38(45(36)53)48-50-47(31-24-26-44-40(28-31)35-15-5-7-21-42(35)54-44)51-49(52-48)39-19-10-17-37-34-14-4-8-22-43(34)55-46(37)39/h1-28H
InChIKeyKAVXETDWBVECED-UHFFFAOYSA-N
MW704.79 g/mol
LogP12.92
Rot. Bonds4

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

1-(4-dibenzofuran-2-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-9-naphthalen-2-ylcarbazole (PubChem CID 170534647) has the molecular formula C49H28N4O2 and a molecular weight of 704.79 g/mol. Its IUPAC name is 1-(4-dibenzofuran-2-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-9-naphthalen-2-ylcarbazole.

Molecular Properties

Compound Name1-(4-dibenzofuran-2-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-9-naphthalen-2-ylcarbazole
PubChem CID170534647
Molecular FormulaC49H28N4O2
Molecular Weight704.79 g/mol
Exact Mass704.22
IUPAC Name1-(4-dibenzofuran-2-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-9-naphthalen-2-ylcarbazole
SMILESc1ccc2cc(-n3c4ccccc4c4cccc(-c5nc(-c6ccc7oc8ccccc8c7c6)nc(-c6cccc7c6oc6ccccc67)n5)c43)ccc2c1
InChIInChI=1S/C49H28N4O2/c1-2-12-30-27-32(25-23-29(30)11-1)53-41-20-6-3-13-33(41)36-16-9-18-38(45(36)53)48-50-47(31-24-26-44-40(28-31)35-15-5-7-21-42(35)54-44)51-49(52-48)39-19-10-17-37-34-14-4-8-22-43(34)55-46(37)39/h1-28H
InChIKeyKAVXETDWBVECED-UHFFFAOYSA-N
XLogP12.92
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500704.79
LogP ≤ 512.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-[4-(8-carbazol-9-yldibenzofuran-4-yl)-6-dibenzofuran-2-yl-1,3,5-triazin-2-yl]carbazole
CID 170369945
9-(6-phenyldibenzofuran-2-yl)-1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 170080240
9-phenyl-1-[4-phenyl-6-(6-phenyldibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazole
CID 162699405
9-naphthalen-2-yl-1-[1-[4-phenyl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazin-2-yl]carbazol-9-yl]carbazole
CID 168807835
1-[8-(4-dibenzofuran-2-yl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-9-phenylcarbazole
CID 139342623
12-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-11-naphthalen-2-ylindolo[2,3-a]carbazole
CID 146642620
9-[4-(4-dibenzofuran-2-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)phenyl]-3-phenylcarbazole
CID 170534356
1-[8-[4-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]dibenzofuran-3-yl]-9-phenylcarbazole
CID 157480548
3-dibenzofuran-2-yl-9-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]carbazole
CID 121449444
11-[7-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]benzo[a]carbazole
CID 167032824
9-[4-(4-dibenzofuran-3-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 170534619
1-[6-(4-dibenzofuran-4-yl-6-phenanthren-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole
CID 139342497

Frequently Asked Questions

What is the IUPAC name of 1-(4-dibenzofuran-2-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-9-naphthalen-2-ylcarbazole?
The IUPAC name of 1-(4-dibenzofuran-2-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-9-naphthalen-2-ylcarbazole (CID 170534647) is 1-(4-dibenzofuran-2-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-9-naphthalen-2-ylcarbazole.
What is the SMILES notation for 1-(4-dibenzofuran-2-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-9-naphthalen-2-ylcarbazole?
The canonical SMILES for 1-(4-dibenzofuran-2-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-9-naphthalen-2-ylcarbazole is c1ccc2cc(-n3c4ccccc4c4cccc(-c5nc(-c6ccc7oc8ccccc8c7c6)nc(-c6cccc7c6oc6ccccc67)n5)c43)ccc2c1.
What is the InChIKey of 1-(4-dibenzofuran-2-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-9-naphthalen-2-ylcarbazole?
The InChIKey is KAVXETDWBVECED-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H28N4O2/c1-2-12-30-27-32(25-23-29(30)11-1)53-41-20-6-3-13-33(41)36-16-9-18-38(45(36)53)48-50-47(31-24-26-44-40(28-31)35-15-5-7-21-42(35)54-44)51-49(52-48)39-19-10-17-37-34-14-4-8-22-43(34)55-46(37)39/h1-28H.
What are the key properties of 1-(4-dibenzofuran-2-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-9-naphthalen-2-ylcarbazole?
1-(4-dibenzofuran-2-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-9-naphthalen-2-ylcarbazole has a molecular weight of 704.79 g/mol, XLogP of 12.92, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-dibenzofuran-2-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-9-naphthalen-2-ylcarbazole is sourced from PubChem (CID 170534647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).