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

C51H32N4O — CID 146280840

IUPAC7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-[1]benzofuro[2,3-b]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccccc4)c(-n4c5ccccc5c5cc6c(cc54)oc4ccccc46)c(-c4ccccc4)c3)n2)cc1
InChIInChI=1S/C51H32N4O/c1-5-17-33(18-6-1)40-29-37(51-53-49(35-21-9-3-10-22-35)52-50(54-51)36-23-11-4-12-24-36)30-41(34-19-7-2-8-20-34)48(40)55-44-27-15-13-25-38(44)42-31-43-39-26-14-16-28-46(39)56-47(43)32-45(42)55/h1-32H
InChIKeyIPHNWIBNRMNPME-UHFFFAOYSA-N
MW716.84 g/mol
LogP13.20
Rot. Bonds6

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

7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-[1]benzofuro[2,3-b]carbazole (PubChem CID 146280840) has the molecular formula C51H32N4O and a molecular weight of 716.84 g/mol. Its IUPAC name is 7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-[1]benzofuro[2,3-b]carbazole.

Molecular Properties

Compound Name7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-[1]benzofuro[2,3-b]carbazole
PubChem CID146280840
Molecular FormulaC51H32N4O
Molecular Weight716.84 g/mol
Exact Mass716.26
IUPAC Name7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-[1]benzofuro[2,3-b]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccccc4)c(-n4c5ccccc5c5cc6c(cc54)oc4ccccc46)c(-c4ccccc4)c3)n2)cc1
InChIInChI=1S/C51H32N4O/c1-5-17-33(18-6-1)40-29-37(51-53-49(35-21-9-3-10-22-35)52-50(54-51)36-23-11-4-12-24-36)30-41(34-19-7-2-8-20-34)48(40)55-44-27-15-13-25-38(44)42-31-43-39-26-14-16-28-46(39)56-47(43)32-45(42)55/h1-32H
InChIKeyIPHNWIBNRMNPME-UHFFFAOYSA-N
XLogP13.20
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.84
LogP ≤ 513.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-([1]benzofuro[2,3-b]carbazol-7-yl)-3,5-diphenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile
CID 163636358
7-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-[1]benzothiolo[2,3-b]carbazole
CID 146280819
7-[4-[4-[4-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-[1]benzofuro[2,3-b]carbazole
CID 163922838
11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-[1]benzofuro[3,2-b]carbazole
CID 163515985
2-[9-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]carbazol-3-yl]benzenethiol
CID 167403642
24-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-11,15-dioxa-24-azaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene
CID 146281104
7-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]carbazole;7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazole
CID 160917779
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
19-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-phenyl-11-oxa-15,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
CID 140957360
2-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 163733499
12-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-[1]benzofuro[3,2-a]carbazole
CID 146280449
11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-b]carbazole;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-5-phenylindolo[3,2-b]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-12-phenylindolo[3,2-c]carbazole
CID 160560099

Frequently Asked Questions

What is the IUPAC name of 7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-[1]benzofuro[2,3-b]carbazole?
The IUPAC name of 7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-[1]benzofuro[2,3-b]carbazole (CID 146280840) is 7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-[1]benzofuro[2,3-b]carbazole.
What is the SMILES notation for 7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-[1]benzofuro[2,3-b]carbazole?
The canonical SMILES for 7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-[1]benzofuro[2,3-b]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccccc4)c(-n4c5ccccc5c5cc6c(cc54)oc4ccccc46)c(-c4ccccc4)c3)n2)cc1.
What is the InChIKey of 7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-[1]benzofuro[2,3-b]carbazole?
The InChIKey is IPHNWIBNRMNPME-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N4O/c1-5-17-33(18-6-1)40-29-37(51-53-49(35-21-9-3-10-22-35)52-50(54-51)36-23-11-4-12-24-36)30-41(34-19-7-2-8-20-34)48(40)55-44-27-15-13-25-38(44)42-31-43-39-26-14-16-28-46(39)56-47(43)32-45(42)55/h1-32H.
What are the key properties of 7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-[1]benzofuro[2,3-b]carbazole?
7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-[1]benzofuro[2,3-b]carbazole has a molecular weight of 716.84 g/mol, XLogP of 13.20, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-[1]benzofuro[2,3-b]carbazole is sourced from PubChem (CID 146280840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).