7-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-5-yl]-[1]benzofuro[2,3-b]carbazole

C49H28N4O2 — CID 167588833

IUPAC7-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-5-yl]-[1]benzofuro[2,3-b]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5c6ccccc6c(-n6c7ccccc7c7cc8c(cc76)oc6ccccc68)cc5c34)n2)cc1
InChIInChI=1S/C49H28N4O2/c1-3-14-29(15-4-1)47-50-48(30-16-5-2-6-17-30)52-49(51-47)35-22-13-25-43-45(35)38-27-40(31-18-7-8-21-34(31)46(38)55-43)53-39-23-11-9-19-32(39)36-26-37-33-20-10-12-24-42(33)54-44(37)28-41(36)53/h1-28H
InChIKeyRNGBGMJBJPMLON-UHFFFAOYSA-N
MW704.79 g/mol
LogP12.92
Rot. Bonds4

About 7-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-5-yl]-[1]benzofuro[2,3-b]carbazole

7-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-5-yl]-[1]benzofuro[2,3-b]carbazole (PubChem CID 167588833) has the molecular formula C49H28N4O2 and a molecular weight of 704.79 g/mol. Its IUPAC name is 7-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-5-yl]-[1]benzofuro[2,3-b]carbazole.

Molecular Properties

Compound Name7-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-5-yl]-[1]benzofuro[2,3-b]carbazole
PubChem CID167588833
Molecular FormulaC49H28N4O2
Molecular Weight704.79 g/mol
Exact Mass704.22
IUPAC Name7-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-5-yl]-[1]benzofuro[2,3-b]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5c6ccccc6c(-n6c7ccccc7c7cc8c(cc76)oc6ccccc68)cc5c34)n2)cc1
InChIInChI=1S/C49H28N4O2/c1-3-14-29(15-4-1)47-50-48(30-16-5-2-6-17-30)52-49(51-47)35-22-13-25-43-45(35)38-27-40(31-18-7-8-21-34(31)46(38)55-43)53-39-23-11-9-19-32(39)36-26-37-33-20-10-12-24-42(33)54-44(37)28-41(36)53/h1-28H
InChIKeyRNGBGMJBJPMLON-UHFFFAOYSA-N
XLogP12.92
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500704.79
LogP ≤ 512.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-5-yl]-[1]benzofuro[2,3-b]carbazole with MolForge

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Related Compounds

5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-5-yl]-7-phenylindolo[2,3-b]carbazole
CID 167647554
7-[1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-[1]benzofuro[2,3-b]carbazole
CID 155158730
11-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]carbazole
CID 130327477
7-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzofuro[2,3-b]carbazole
CID 164955673
11-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,18-dioxa-11-azaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene
CID 118301187
1-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 163898329
11-[4-dibenzofuran-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]carbazole
CID 118153977
1-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 163456699
4-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-phenyl-[1]benzofuro[3,2-b]carbazole;4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole
CID 163421950
9-[2-[7-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]phenyl]carbazole
CID 170192949
5-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-5-yl]benzo[b]carbazole
CID 163768078
9-[15-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14,16,18-nonaen-5-yl]carbazole
CID 146258992

Frequently Asked Questions

What is the IUPAC name of 7-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-5-yl]-[1]benzofuro[2,3-b]carbazole?
The IUPAC name of 7-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-5-yl]-[1]benzofuro[2,3-b]carbazole (CID 167588833) is 7-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-5-yl]-[1]benzofuro[2,3-b]carbazole.
What is the SMILES notation for 7-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-5-yl]-[1]benzofuro[2,3-b]carbazole?
The canonical SMILES for 7-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-5-yl]-[1]benzofuro[2,3-b]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5c6ccccc6c(-n6c7ccccc7c7cc8c(cc76)oc6ccccc68)cc5c34)n2)cc1.
What is the InChIKey of 7-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-5-yl]-[1]benzofuro[2,3-b]carbazole?
The InChIKey is RNGBGMJBJPMLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H28N4O2/c1-3-14-29(15-4-1)47-50-48(30-16-5-2-6-17-30)52-49(51-47)35-22-13-25-43-45(35)38-27-40(31-18-7-8-21-34(31)46(38)55-43)53-39-23-11-9-19-32(39)36-26-37-33-20-10-12-24-42(33)54-44(37)28-41(36)53/h1-28H.
What are the key properties of 7-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-5-yl]-[1]benzofuro[2,3-b]carbazole?
7-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-5-yl]-[1]benzofuro[2,3-b]carbazole has a molecular weight of 704.79 g/mol, XLogP of 12.92, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-5-yl]-[1]benzofuro[2,3-b]carbazole is sourced from PubChem (CID 167588833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).