10-(4-naphtho[2,3-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)benzo[b]carbazole

C53H32N4O — CID 163650565

IUPAC10-(4-naphtho[2,3-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)benzo[b]carbazole
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4cc5c(-c6nc(-c7ccccc7)nc(-c7ccc8c(c7)oc7cc9ccccc9cc78)n6)cccc5cc43)c2)cc1
InChIInChI=1S/C53H32N4O/c1-3-13-33(14-4-1)35-19-11-21-40(27-35)57-47-24-10-9-22-41(47)45-32-44-38(29-48(45)57)20-12-23-43(44)53-55-51(34-15-5-2-6-16-34)54-52(56-53)39-25-26-42-46-28-36-17-7-8-18-37(36)30-50(46)58-49(42)31-39/h1-32H
InChIKeyILXDCTXIVQZSFC-UHFFFAOYSA-N
MW740.87 g/mol
LogP13.84
Rot. Bonds5

About 10-(4-naphtho[2,3-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)benzo[b]carbazole

10-(4-naphtho[2,3-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)benzo[b]carbazole (PubChem CID 163650565) has the molecular formula C53H32N4O and a molecular weight of 740.87 g/mol. Its IUPAC name is 10-(4-naphtho[2,3-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)benzo[b]carbazole.

Molecular Properties

Compound Name10-(4-naphtho[2,3-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)benzo[b]carbazole
PubChem CID163650565
Molecular FormulaC53H32N4O
Molecular Weight740.87 g/mol
Exact Mass740.26
IUPAC Name10-(4-naphtho[2,3-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)benzo[b]carbazole
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4cc5c(-c6nc(-c7ccccc7)nc(-c7ccc8c(c7)oc7cc9ccccc9cc78)n6)cccc5cc43)c2)cc1
InChIInChI=1S/C53H32N4O/c1-3-13-33(14-4-1)35-19-11-21-40(27-35)57-47-24-10-9-22-41(47)45-32-44-38(29-48(45)57)20-12-23-43(44)53-55-51(34-15-5-2-6-16-34)54-52(56-53)39-25-26-42-46-28-36-17-7-8-18-37(36)30-50(46)58-49(42)31-39/h1-32H
InChIKeyILXDCTXIVQZSFC-UHFFFAOYSA-N
XLogP13.84
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.87
LogP ≤ 513.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[3-(4-naphtho[2,3-b][1]benzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 166917850
7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(2-phenylcarbazol-9-yl)-[1]benzofuro[2,3-b]carbazole
CID 155006709
5-[4-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]dibenzofuran-3-yl]phenyl]benzo[b]carbazole
CID 170253427
5-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole
CID 146491311
3-[4-carbazol-9-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-11-phenyl-[1]benzofuro[3,2-b]carbazole;3-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-phenyl-[1]benzofuro[3,2-b]carbazole;3-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-(3-phenylphenyl)-[1]benzofuro[3,2-b]carbazole;3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole;3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-11-(3-phenylphenyl)-[1]benzofuro[3,2-b]carbazole
CID 163946850
7-[3-(4-phenylphenyl)phenyl]-4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]carbazole
CID 163950342
7-(3-phenylphenyl)-4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]carbazole
CID 163950340
3-dibenzofuran-3-yl-9-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 164998334
9-(3-dibenzofuran-3-ylphenyl)-2-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 171437863
11-phenyl-3-[4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-b]carbazole
CID 163682982
9-(3-dibenzofuran-3-ylphenyl)-2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 171438053
5-[3-[3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzo[b]carbazole
CID 166916866

Frequently Asked Questions

What is the IUPAC name of 10-(4-naphtho[2,3-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)benzo[b]carbazole?
The IUPAC name of 10-(4-naphtho[2,3-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)benzo[b]carbazole (CID 163650565) is 10-(4-naphtho[2,3-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)benzo[b]carbazole.
What is the SMILES notation for 10-(4-naphtho[2,3-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)benzo[b]carbazole?
The canonical SMILES for 10-(4-naphtho[2,3-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)benzo[b]carbazole is c1ccc(-c2cccc(-n3c4ccccc4c4cc5c(-c6nc(-c7ccccc7)nc(-c7ccc8c(c7)oc7cc9ccccc9cc78)n6)cccc5cc43)c2)cc1.
What is the InChIKey of 10-(4-naphtho[2,3-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)benzo[b]carbazole?
The InChIKey is ILXDCTXIVQZSFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H32N4O/c1-3-13-33(14-4-1)35-19-11-21-40(27-35)57-47-24-10-9-22-41(47)45-32-44-38(29-48(45)57)20-12-23-43(44)53-55-51(34-15-5-2-6-16-34)54-52(56-53)39-25-26-42-46-28-36-17-7-8-18-37(36)30-50(46)58-49(42)31-39/h1-32H.
What are the key properties of 10-(4-naphtho[2,3-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)benzo[b]carbazole?
10-(4-naphtho[2,3-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)benzo[b]carbazole has a molecular weight of 740.87 g/mol, XLogP of 13.84, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-naphtho[2,3-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)benzo[b]carbazole is sourced from PubChem (CID 163650565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).