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

C43H26N4O — CID 176854040

IUPAC9-[4-phenyl-6-(3-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazin-2-yl]carbazole
SMILESc1ccc(-c2ccc3c(c2)cc(-c2nc(-c4ccccc4)nc(-n4c5ccccc5c5ccccc54)n2)c2c4ccccc4oc32)cc1
InChIInChI=1S/C43H26N4O/c1-3-13-27(14-4-1)29-23-24-31-30(25-29)26-35(39-34-19-9-12-22-38(34)48-40(31)39)42-44-41(28-15-5-2-6-16-28)45-43(46-42)47-36-20-10-7-17-32(36)33-18-8-11-21-37(33)47/h1-26H
InChIKeyVUTJEJWKBQSOAL-UHFFFAOYSA-N
MW614.71 g/mol
LogP11.02
Rot. Bonds4

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

9-[4-phenyl-6-(3-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazin-2-yl]carbazole (PubChem CID 176854040) has the molecular formula C43H26N4O and a molecular weight of 614.71 g/mol. Its IUPAC name is 9-[4-phenyl-6-(3-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazin-2-yl]carbazole.

Molecular Properties

Compound Name9-[4-phenyl-6-(3-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazin-2-yl]carbazole
PubChem CID176854040
Molecular FormulaC43H26N4O
Molecular Weight614.71 g/mol
Exact Mass614.21
IUPAC Name9-[4-phenyl-6-(3-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazin-2-yl]carbazole
SMILESc1ccc(-c2ccc3c(c2)cc(-c2nc(-c4ccccc4)nc(-n4c5ccccc5c5ccccc54)n2)c2c4ccccc4oc32)cc1
InChIInChI=1S/C43H26N4O/c1-3-13-27(14-4-1)29-23-24-31-30(25-29)26-35(39-34-19-9-12-22-38(34)48-40(31)39)42-44-41(28-15-5-2-6-16-28)45-43(46-42)47-36-20-10-7-17-32(36)33-18-8-11-21-37(33)47/h1-26H
InChIKeyVUTJEJWKBQSOAL-UHFFFAOYSA-N
XLogP11.02
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.71
LogP ≤ 511.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenyl-4-(3-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176853446
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
9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-3-phenylcarbazole
CID 118888358
6-phenyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 171730151
2-naphthalen-2-yl-4-(3-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 176854017
9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4-phenylphenyl)carbazole
CID 142377731
2-dibenzofuran-4-yl-4-(3-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176853960
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-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(3-phenylphenyl)carbazole
CID 142377722
2,4-di(dibenzothiophen-2-yl)-6-(3-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazine
CID 176853773
3-dibenzofuran-3-yl-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 164954379
2-phenyl-4,6-bis(9-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazine
CID 176775616

Frequently Asked Questions

What is the IUPAC name of 9-[4-phenyl-6-(3-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazin-2-yl]carbazole?
The IUPAC name of 9-[4-phenyl-6-(3-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazin-2-yl]carbazole (CID 176854040) is 9-[4-phenyl-6-(3-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazin-2-yl]carbazole.
What is the SMILES notation for 9-[4-phenyl-6-(3-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazin-2-yl]carbazole?
The canonical SMILES for 9-[4-phenyl-6-(3-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazin-2-yl]carbazole is c1ccc(-c2ccc3c(c2)cc(-c2nc(-c4ccccc4)nc(-n4c5ccccc5c5ccccc54)n2)c2c4ccccc4oc32)cc1.
What is the InChIKey of 9-[4-phenyl-6-(3-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazin-2-yl]carbazole?
The InChIKey is VUTJEJWKBQSOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H26N4O/c1-3-13-27(14-4-1)29-23-24-31-30(25-29)26-35(39-34-19-9-12-22-38(34)48-40(31)39)42-44-41(28-15-5-2-6-16-28)45-43(46-42)47-36-20-10-7-17-32(36)33-18-8-11-21-37(33)47/h1-26H.
What are the key properties of 9-[4-phenyl-6-(3-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazin-2-yl]carbazole?
9-[4-phenyl-6-(3-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazin-2-yl]carbazole has a molecular weight of 614.71 g/mol, XLogP of 11.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-phenyl-6-(3-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazin-2-yl]carbazole is sourced from PubChem (CID 176854040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).