5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]benzo[b]carbazole

C47H28N4O — CID 154968541

IUPAC5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]benzo[b]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc4ccccc4c4c3oc3cc(-n5c6ccccc6c6cc7ccccc7cc65)ccc34)n2)cc1
InChIInChI=1S/C47H28N4O/c1-3-13-29(14-4-1)45-48-46(30-15-5-2-6-16-30)50-47(49-45)39-26-33-19-9-10-20-35(33)43-37-24-23-34(28-42(37)52-44(39)43)51-40-22-12-11-21-36(40)38-25-31-17-7-8-18-32(31)27-41(38)51/h1-28H
InChIKeyWKQFUMWAKKBZBF-UHFFFAOYSA-N
MW664.77 g/mol
LogP12.18
Rot. Bonds4

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

5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]benzo[b]carbazole (PubChem CID 154968541) has the molecular formula C47H28N4O and a molecular weight of 664.77 g/mol. Its IUPAC name is 5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]benzo[b]carbazole
PubChem CID154968541
Molecular FormulaC47H28N4O
Molecular Weight664.77 g/mol
Exact Mass664.23
IUPAC Name5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]benzo[b]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc4ccccc4c4c3oc3cc(-n5c6ccccc6c6cc7ccccc7cc65)ccc34)n2)cc1
InChIInChI=1S/C47H28N4O/c1-3-13-29(14-4-1)45-48-46(30-15-5-2-6-16-30)50-47(49-45)39-26-33-19-9-10-20-35(33)43-37-24-23-34(28-42(37)52-44(39)43)51-40-22-12-11-21-36(40)38-25-31-17-7-8-18-32(31)27-41(38)51/h1-28H
InChIKeyWKQFUMWAKKBZBF-UHFFFAOYSA-N
XLogP12.18
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.77
LogP ≤ 512.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]-[1]benzofuro[2,3-b]carbazole
CID 164707430
9-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphtho[2,1-b][1]benzofuran-9-yl]carbazole
CID 154968542
5-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole
CID 146491311
12-[6-(4-carbazol-9-yl-6-dibenzofuran-2-yl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-2-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 163846224
5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole;9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]-2-phenylcarbazole;5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylnaphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole
CID 167691849
5-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-10-yl]benzo[b]carbazole
CID 167424215
12-[3-(4-naphtho[2,1-b][1]benzofuran-6-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene
CID 166915694
5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole
CID 156554044
5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-phenyldibenzofuran-3-yl]benzo[b]carbazole
CID 166495763
12-[6-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene
CID 163727338
5-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-3-yl]benzo[b]carbazole
CID 170253940
5-[1-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[b]carbazole
CID 164714928

Frequently Asked Questions

What is the IUPAC name of 5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]benzo[b]carbazole?
The IUPAC name of 5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]benzo[b]carbazole (CID 154968541) is 5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]benzo[b]carbazole.
What is the SMILES notation for 5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]benzo[b]carbazole?
The canonical SMILES for 5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]benzo[b]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cc4ccccc4c4c3oc3cc(-n5c6ccccc6c6cc7ccccc7cc65)ccc34)n2)cc1.
What is the InChIKey of 5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]benzo[b]carbazole?
The InChIKey is WKQFUMWAKKBZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H28N4O/c1-3-13-29(14-4-1)45-48-46(30-15-5-2-6-16-30)50-47(49-45)39-26-33-19-9-10-20-35(33)43-37-24-23-34(28-42(37)52-44(39)43)51-40-22-12-11-21-36(40)38-25-31-17-7-8-18-32(31)27-41(38)51/h1-28H.
What are the key properties of 5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]benzo[b]carbazole?
5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]benzo[b]carbazole has a molecular weight of 664.77 g/mol, XLogP of 12.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]benzo[b]carbazole is sourced from PubChem (CID 154968541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).