9-[4-[3-(4-naphthalen-2-ylphenyl)phenyl]-6-naphtho[1,2-b][1]benzofuran-6-yl-1,3,5-triazin-2-yl]carbazole

C53H32N4O — CID 169053891

IUPAC9-[4-[3-(4-naphthalen-2-ylphenyl)phenyl]-6-naphtho[1,2-b][1]benzofuran-6-yl-1,3,5-triazin-2-yl]carbazole
SMILESc1cc(-c2ccc(-c3ccc4ccccc4c3)cc2)cc(-c2nc(-c3cc4ccccc4c4oc5ccccc5c34)nc(-n3c4ccccc4c4ccccc43)n2)c1
InChIInChI=1S/C53H32N4O/c1-2-13-36-30-38(29-28-33(36)12-1)35-26-24-34(25-27-35)37-15-11-16-40(31-37)51-54-52(56-53(55-51)57-46-21-8-5-18-42(46)43-19-6-9-22-47(43)57)45-32-39-14-3-4-17-41(39)50-49(45)44-20-7-10-23-48(44)58-50/h1-32H
InChIKeyGYHMPYUPUDHJCF-UHFFFAOYSA-N
MW740.87 g/mol
LogP13.84
Rot. Bonds5

About 9-[4-[3-(4-naphthalen-2-ylphenyl)phenyl]-6-naphtho[1,2-b][1]benzofuran-6-yl-1,3,5-triazin-2-yl]carbazole

9-[4-[3-(4-naphthalen-2-ylphenyl)phenyl]-6-naphtho[1,2-b][1]benzofuran-6-yl-1,3,5-triazin-2-yl]carbazole (PubChem CID 169053891) has the molecular formula C53H32N4O and a molecular weight of 740.87 g/mol. Its IUPAC name is 9-[4-[3-(4-naphthalen-2-ylphenyl)phenyl]-6-naphtho[1,2-b][1]benzofuran-6-yl-1,3,5-triazin-2-yl]carbazole.

Molecular Properties

Compound Name9-[4-[3-(4-naphthalen-2-ylphenyl)phenyl]-6-naphtho[1,2-b][1]benzofuran-6-yl-1,3,5-triazin-2-yl]carbazole
PubChem CID169053891
Molecular FormulaC53H32N4O
Molecular Weight740.87 g/mol
Exact Mass740.26
IUPAC Name9-[4-[3-(4-naphthalen-2-ylphenyl)phenyl]-6-naphtho[1,2-b][1]benzofuran-6-yl-1,3,5-triazin-2-yl]carbazole
SMILESc1cc(-c2ccc(-c3ccc4ccccc4c3)cc2)cc(-c2nc(-c3cc4ccccc4c4oc5ccccc5c34)nc(-n3c4ccccc4c4ccccc43)n2)c1
InChIInChI=1S/C53H32N4O/c1-2-13-36-30-38(29-28-33(36)12-1)35-26-24-34(25-27-35)37-15-11-16-40(31-37)51-54-52(56-53(55-51)57-46-21-8-5-18-42(46)43-19-6-9-22-47(43)57)45-32-39-14-3-4-17-41(39)50-49(45)44-20-7-10-23-48(44)58-50/h1-32H
InChIKeyGYHMPYUPUDHJCF-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

9-[4-phenyl-6-(3-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazin-2-yl]carbazole
CID 176854040
12-(4-naphthalen-2-yl-6-naphtho[1,2-b][1]benzofuran-6-yl-1,3,5-triazin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 163618380
2-naphthalen-2-yl-4-(3-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 176854017
2-naphthalen-2-yl-4-(2-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176853968
2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-(3-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazine
CID 176853943
9-(4-dibenzofuran-1-yl-6-naphtho[1,2-b][1]benzofuran-3-yl-1,3,5-triazin-2-yl)carbazole
CID 146658758
2-naphthalen-2-yl-4-(9-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-6-yl)-6-phenyl-1,3,5-triazine
CID 177130942
9-[1-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole
CID 167032741
2,4-dinaphthalen-2-yl-6-[3-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 163627856
9-[4-(3,5-diphenylphenyl)-6-(3-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]carbazole;9-[4-(3,5-diphenylphenyl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]carbazole;9-[4-(3-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;9-[4-(4-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 160984950
9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-3-phenylcarbazole
CID 118888358
2,4-dinaphthalen-2-yl-6-(4-phenyldibenzofuran-1-yl)-1,3,5-triazine;2,4-dinaphthalen-2-yl-6-[4-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine;2-naphthalen-2-yl-4-phenyl-6-[4-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 163773356

Frequently Asked Questions

What is the IUPAC name of 9-[4-[3-(4-naphthalen-2-ylphenyl)phenyl]-6-naphtho[1,2-b][1]benzofuran-6-yl-1,3,5-triazin-2-yl]carbazole?
The IUPAC name of 9-[4-[3-(4-naphthalen-2-ylphenyl)phenyl]-6-naphtho[1,2-b][1]benzofuran-6-yl-1,3,5-triazin-2-yl]carbazole (CID 169053891) is 9-[4-[3-(4-naphthalen-2-ylphenyl)phenyl]-6-naphtho[1,2-b][1]benzofuran-6-yl-1,3,5-triazin-2-yl]carbazole.
What is the SMILES notation for 9-[4-[3-(4-naphthalen-2-ylphenyl)phenyl]-6-naphtho[1,2-b][1]benzofuran-6-yl-1,3,5-triazin-2-yl]carbazole?
The canonical SMILES for 9-[4-[3-(4-naphthalen-2-ylphenyl)phenyl]-6-naphtho[1,2-b][1]benzofuran-6-yl-1,3,5-triazin-2-yl]carbazole is c1cc(-c2ccc(-c3ccc4ccccc4c3)cc2)cc(-c2nc(-c3cc4ccccc4c4oc5ccccc5c34)nc(-n3c4ccccc4c4ccccc43)n2)c1.
What is the InChIKey of 9-[4-[3-(4-naphthalen-2-ylphenyl)phenyl]-6-naphtho[1,2-b][1]benzofuran-6-yl-1,3,5-triazin-2-yl]carbazole?
The InChIKey is GYHMPYUPUDHJCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H32N4O/c1-2-13-36-30-38(29-28-33(36)12-1)35-26-24-34(25-27-35)37-15-11-16-40(31-37)51-54-52(56-53(55-51)57-46-21-8-5-18-42(46)43-19-6-9-22-47(43)57)45-32-39-14-3-4-17-41(39)50-49(45)44-20-7-10-23-48(44)58-50/h1-32H.
What are the key properties of 9-[4-[3-(4-naphthalen-2-ylphenyl)phenyl]-6-naphtho[1,2-b][1]benzofuran-6-yl-1,3,5-triazin-2-yl]carbazole?
9-[4-[3-(4-naphthalen-2-ylphenyl)phenyl]-6-naphtho[1,2-b][1]benzofuran-6-yl-1,3,5-triazin-2-yl]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 9-[4-[3-(4-naphthalen-2-ylphenyl)phenyl]-6-naphtho[1,2-b][1]benzofuran-6-yl-1,3,5-triazin-2-yl]carbazole is sourced from PubChem (CID 169053891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).