9-[6-[6-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-4-yl]dibenzofuran-3-yl]-3,4-dihydrocarbazole

C51H34N4O2 — CID 166962458

IUPAC9-[6-[6-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-4-yl]dibenzofuran-3-yl]-3,4-dihydrocarbazole
SMILESC1=Cc2c(c3ccccc3n2-c2ccc3c(c2)oc2c(-c4cccc5c4oc4c(C6=NC(c7ccccc7)NC(c7ccccc7)=N6)cccc45)cccc23)CC1
InChIInChI=1S/C51H34N4O2/c1-3-14-31(15-4-1)49-52-50(32-16-5-2-6-17-32)54-51(53-49)42-25-13-24-41-40-23-12-22-39(47(40)57-48(41)42)38-21-11-20-37-36-29-28-33(30-45(36)56-46(37)38)55-43-26-9-7-18-34(43)35-19-8-10-27-44(35)55/h1-7,9-18,20-30,49H,8,19H2,(H,52,53,54)
InChIKeyYSMQWWWBGBRHSK-UHFFFAOYSA-N
MW734.86 g/mol
LogP12.55
Rot. Bonds5

About 9-[6-[6-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-4-yl]dibenzofuran-3-yl]-3,4-dihydrocarbazole

9-[6-[6-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-4-yl]dibenzofuran-3-yl]-3,4-dihydrocarbazole (PubChem CID 166962458) has the molecular formula C51H34N4O2 and a molecular weight of 734.86 g/mol. Its IUPAC name is 9-[6-[6-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-4-yl]dibenzofuran-3-yl]-3,4-dihydrocarbazole.

Molecular Properties

Compound Name9-[6-[6-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-4-yl]dibenzofuran-3-yl]-3,4-dihydrocarbazole
PubChem CID166962458
Molecular FormulaC51H34N4O2
Molecular Weight734.86 g/mol
Exact Mass734.27
IUPAC Name9-[6-[6-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-4-yl]dibenzofuran-3-yl]-3,4-dihydrocarbazole
SMILESC1=Cc2c(c3ccccc3n2-c2ccc3c(c2)oc2c(-c4cccc5c4oc4c(C6=NC(c7ccccc7)NC(c7ccccc7)=N6)cccc45)cccc23)CC1
InChIInChI=1S/C51H34N4O2/c1-3-14-31(15-4-1)49-52-50(32-16-5-2-6-17-32)54-51(53-49)42-25-13-24-41-40-23-12-22-39(47(40)57-48(41)42)38-21-11-20-37-36-29-28-33(30-45(36)56-46(37)38)55-43-26-9-7-18-34(43)35-19-8-10-27-44(35)55/h1-7,9-18,20-30,49H,8,19H2,(H,52,53,54)
InChIKeyYSMQWWWBGBRHSK-UHFFFAOYSA-N
XLogP12.55
TPSA67.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500734.86
LogP ≤ 512.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 9-[6-[6-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-4-yl]dibenzofuran-3-yl]-3,4-dihydrocarbazole with MolForge

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Related Compounds

9-[9-[9-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-3-yl]dibenzothiophen-4-yl]-3,4-dihydrocarbazole
CID 166962411
9-[7-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-3-yl]-3-phenylcarbazole
CID 166961445
3-dibenzofuran-4-yl-9-[3-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]phenyl]carbazole
CID 170137075
9-[7-[7-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)dibenzofuran-4-yl]dibenzothiophen-4-yl]-3,4-dihydrocarbazole
CID 166962970
9-[9-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-7-phenyldibenzofuran-3-yl]-3-phenylcarbazole
CID 163680137
9-[9-(2-dibenzofuran-4-yl-6-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-3-yl]-2-phenylcarbazole
CID 166961520
9-[3-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)naphtho[2,3-b][1]benzofuran-4-yl]carbazole
CID 167032691
9-[3-[6-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-2-[4-(3-phenylphenyl)phenyl]-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]carbazole
CID 136598017
12-[7-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-4-yl]-11-phenylindolo[2,3-a]carbazole
CID 166668224
9-[8-[8-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-1-yl]dibenzofuran-2-yl]carbazole
CID 166962098
5-[3-[7-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-2-yl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 155002339
9-[7-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]dibenzofuran-4-yl]-2-phenylcarbazole
CID 166668278

Frequently Asked Questions

What is the IUPAC name of 9-[6-[6-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-4-yl]dibenzofuran-3-yl]-3,4-dihydrocarbazole?
The IUPAC name of 9-[6-[6-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-4-yl]dibenzofuran-3-yl]-3,4-dihydrocarbazole (CID 166962458) is 9-[6-[6-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-4-yl]dibenzofuran-3-yl]-3,4-dihydrocarbazole.
What is the SMILES notation for 9-[6-[6-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-4-yl]dibenzofuran-3-yl]-3,4-dihydrocarbazole?
The canonical SMILES for 9-[6-[6-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-4-yl]dibenzofuran-3-yl]-3,4-dihydrocarbazole is C1=Cc2c(c3ccccc3n2-c2ccc3c(c2)oc2c(-c4cccc5c4oc4c(C6=NC(c7ccccc7)NC(c7ccccc7)=N6)cccc45)cccc23)CC1.
What is the InChIKey of 9-[6-[6-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-4-yl]dibenzofuran-3-yl]-3,4-dihydrocarbazole?
The InChIKey is YSMQWWWBGBRHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N4O2/c1-3-14-31(15-4-1)49-52-50(32-16-5-2-6-17-32)54-51(53-49)42-25-13-24-41-40-23-12-22-39(47(40)57-48(41)42)38-21-11-20-37-36-29-28-33(30-45(36)56-46(37)38)55-43-26-9-7-18-34(43)35-19-8-10-27-44(35)55/h1-7,9-18,20-30,49H,8,19H2,(H,52,53,54).
What are the key properties of 9-[6-[6-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-4-yl]dibenzofuran-3-yl]-3,4-dihydrocarbazole?
9-[6-[6-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-4-yl]dibenzofuran-3-yl]-3,4-dihydrocarbazole has a molecular weight of 734.86 g/mol, XLogP of 12.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[6-[6-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-4-yl]dibenzofuran-3-yl]-3,4-dihydrocarbazole is sourced from PubChem (CID 166962458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).