5-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-4-yl]benzo[b]carbazole

C51H30N4O — CID 167347968

IUPAC5-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-4-yl]benzo[b]carbazole
SMILESc1ccc(-c2nc(-c3ccc4c(oc5cc6ccccc6cc54)c3-n3c4ccccc4c4cc5ccccc5cc43)nc(-c3cccc4ccccc34)n2)cc1
InChIInChI=1S/C51H30N4O/c1-2-14-32(15-3-1)49-52-50(40-23-12-20-31-13-8-9-21-37(31)40)54-51(53-49)41-26-25-39-43-28-34-17-5-7-19-36(34)30-46(43)56-48(39)47(41)55-44-24-11-10-22-38(44)42-27-33-16-4-6-18-35(33)29-45(42)55/h1-30H
InChIKeyOJXOPMNMQWHOFK-UHFFFAOYSA-N
MW714.83 g/mol
LogP13.33
Rot. Bonds4

About 5-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-4-yl]benzo[b]carbazole

5-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-4-yl]benzo[b]carbazole (PubChem CID 167347968) has the molecular formula C51H30N4O and a molecular weight of 714.83 g/mol. Its IUPAC name is 5-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-4-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-4-yl]benzo[b]carbazole
PubChem CID167347968
Molecular FormulaC51H30N4O
Molecular Weight714.83 g/mol
Exact Mass714.24
IUPAC Name5-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-4-yl]benzo[b]carbazole
SMILESc1ccc(-c2nc(-c3ccc4c(oc5cc6ccccc6cc54)c3-n3c4ccccc4c4cc5ccccc5cc43)nc(-c3cccc4ccccc34)n2)cc1
InChIInChI=1S/C51H30N4O/c1-2-14-32(15-3-1)49-52-50(40-23-12-20-31-13-8-9-21-37(31)40)54-51(53-49)41-26-25-39-43-28-34-17-5-7-19-36(34)30-46(43)56-48(39)47(41)55-44-24-11-10-22-38(44)42-27-33-16-4-6-18-35(33)29-45(42)55/h1-30H
InChIKeyOJXOPMNMQWHOFK-UHFFFAOYSA-N
XLogP13.33
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.83
LogP ≤ 513.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[9-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,1-b][1]benzofuran-8-yl]benzo[b]carbazole
CID 166699813
5-[2-[4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-3-yl]benzo[b]carbazole
CID 167043514
5-[3-[4-(9-phenylcarbazol-1-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole
CID 166699199
2-naphthalen-1-yl-4-naphtho[2,3-b][1]benzofuran-4-yl-6-phenyl-1,3,5-triazine
CID 159485403
5-[9-(4-naphthalen-1-yl-6-phenanthren-9-yl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]benzo[b]carbazole
CID 166699579
5-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]benzo[b]carbazole
CID 155450728
5-[3-[4-dibenzothiophen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole
CID 166700137
5-[2-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 166915274
5-[4-[4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole
CID 166699258
5-[3-[4-dibenzothiophen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole
CID 166700141
12-[3-[4-(9-phenylcarbazol-3-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 167348055
5-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 146621999

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-4-yl]benzo[b]carbazole?
The IUPAC name of 5-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-4-yl]benzo[b]carbazole (CID 167347968) is 5-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-4-yl]benzo[b]carbazole.
What is the SMILES notation for 5-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-4-yl]benzo[b]carbazole?
The canonical SMILES for 5-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-4-yl]benzo[b]carbazole is c1ccc(-c2nc(-c3ccc4c(oc5cc6ccccc6cc54)c3-n3c4ccccc4c4cc5ccccc5cc43)nc(-c3cccc4ccccc34)n2)cc1.
What is the InChIKey of 5-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-4-yl]benzo[b]carbazole?
The InChIKey is OJXOPMNMQWHOFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H30N4O/c1-2-14-32(15-3-1)49-52-50(40-23-12-20-31-13-8-9-21-37(31)40)54-51(53-49)41-26-25-39-43-28-34-17-5-7-19-36(34)30-46(43)56-48(39)47(41)55-44-24-11-10-22-38(44)42-27-33-16-4-6-18-35(33)29-45(42)55/h1-30H.
What are the key properties of 5-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-4-yl]benzo[b]carbazole?
5-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-4-yl]benzo[b]carbazole has a molecular weight of 714.83 g/mol, XLogP of 13.33, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-4-yl]benzo[b]carbazole is sourced from PubChem (CID 167347968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).