9-[7-[7-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)dibenzofuran-1-yl]dibenzofuran-4-yl]carbazole

C51H34N4O2 — CID 163525091

IUPAC9-[7-[7-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)dibenzofuran-1-yl]dibenzofuran-4-yl]carbazole
SMILESc1ccc(C2=NC(c3ccccc3)NC(c3ccc4c(c3)oc3cccc(-c5ccc6c(c5)oc5c(-n7c8ccccc8c8ccccc87)cccc56)c34)N2)cc1
InChIInChI=1S/C51H34N4O2/c1-3-13-31(14-4-1)49-52-50(32-15-5-2-6-16-32)54-51(53-49)34-26-28-40-46(30-34)56-44-24-12-19-35(47(40)44)33-25-27-38-39-20-11-23-43(48(39)57-45(38)29-33)55-41-21-9-7-17-36(41)37-18-8-10-22-42(37)55/h1-30,49,51,53H,(H,52,54)
InChIKeyIPMVXSRZMPWCMF-UHFFFAOYSA-N
MW734.86 g/mol
LogP12.59
Rot. Bonds5

About 9-[7-[7-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)dibenzofuran-1-yl]dibenzofuran-4-yl]carbazole

9-[7-[7-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)dibenzofuran-1-yl]dibenzofuran-4-yl]carbazole (PubChem CID 163525091) has the molecular formula C51H34N4O2 and a molecular weight of 734.86 g/mol. Its IUPAC name is 9-[7-[7-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)dibenzofuran-1-yl]dibenzofuran-4-yl]carbazole.

Molecular Properties

Compound Name9-[7-[7-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)dibenzofuran-1-yl]dibenzofuran-4-yl]carbazole
PubChem CID163525091
Molecular FormulaC51H34N4O2
Molecular Weight734.86 g/mol
Exact Mass734.27
IUPAC Name9-[7-[7-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)dibenzofuran-1-yl]dibenzofuran-4-yl]carbazole
SMILESc1ccc(C2=NC(c3ccccc3)NC(c3ccc4c(c3)oc3cccc(-c5ccc6c(c5)oc5c(-n7c8ccccc8c8ccccc87)cccc56)c34)N2)cc1
InChIInChI=1S/C51H34N4O2/c1-3-13-31(14-4-1)49-52-50(32-15-5-2-6-16-32)54-51(53-49)34-26-28-40-46(30-34)56-44-24-12-19-35(47(40)44)33-25-27-38-39-20-11-23-43(48(39)57-45(38)29-33)55-41-21-9-7-17-36(41)37-18-8-10-22-42(37)55/h1-30,49,51,53H,(H,52,54)
InChIKeyIPMVXSRZMPWCMF-UHFFFAOYSA-N
XLogP12.59
TPSA67.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500734.86
LogP ≤ 512.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

9-[9-[1-[3-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]dibenzofuran-4-yl]-3-phenylcarbazole
CID 166744433
9-[9-(4-dibenzofuran-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-4-yl]carbazole
CID 166961329
3-dibenzofuran-4-yl-9-[3-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]carbazole
CID 145077505
9-[7-[7-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)dibenzofuran-4-yl]dibenzothiophen-2-yl]carbazole
CID 166962552
9-[6-[8-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)dibenzofuran-1-yl]dibenzofuran-2-yl]carbazole
CID 163673549
4,6-diphenyl-2-[7-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-1,2,3,4-tetrahydro-1,3,5-triazine
CID 167029875
9-dibenzofuran-4-yl-2-(2-dibenzothiophen-4-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)carbazole
CID 163636411
9-[9-[9-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]dibenzothiophen-1-yl]carbazole
CID 166962280
9-[7-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]dibenzofuran-4-yl]-2-phenylcarbazole
CID 166668278
2-[4-(6-naphtho[2,3-b][1]benzofuran-1-yldibenzofuran-4-yl)phenyl]-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 163865537
9-[9-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]dibenzofuran-4-yl]-3-phenylcarbazole
CID 167200797
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

Frequently Asked Questions

What is the IUPAC name of 9-[7-[7-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)dibenzofuran-1-yl]dibenzofuran-4-yl]carbazole?
The IUPAC name of 9-[7-[7-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)dibenzofuran-1-yl]dibenzofuran-4-yl]carbazole (CID 163525091) is 9-[7-[7-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)dibenzofuran-1-yl]dibenzofuran-4-yl]carbazole.
What is the SMILES notation for 9-[7-[7-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)dibenzofuran-1-yl]dibenzofuran-4-yl]carbazole?
The canonical SMILES for 9-[7-[7-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)dibenzofuran-1-yl]dibenzofuran-4-yl]carbazole is c1ccc(C2=NC(c3ccccc3)NC(c3ccc4c(c3)oc3cccc(-c5ccc6c(c5)oc5c(-n7c8ccccc8c8ccccc87)cccc56)c34)N2)cc1.
What is the InChIKey of 9-[7-[7-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)dibenzofuran-1-yl]dibenzofuran-4-yl]carbazole?
The InChIKey is IPMVXSRZMPWCMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N4O2/c1-3-13-31(14-4-1)49-52-50(32-15-5-2-6-16-32)54-51(53-49)34-26-28-40-46(30-34)56-44-24-12-19-35(47(40)44)33-25-27-38-39-20-11-23-43(48(39)57-45(38)29-33)55-41-21-9-7-17-36(41)37-18-8-10-22-42(37)55/h1-30,49,51,53H,(H,52,54).
What are the key properties of 9-[7-[7-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)dibenzofuran-1-yl]dibenzofuran-4-yl]carbazole?
9-[7-[7-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)dibenzofuran-1-yl]dibenzofuran-4-yl]carbazole has a molecular weight of 734.86 g/mol, XLogP of 12.59, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[7-[7-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)dibenzofuran-1-yl]dibenzofuran-4-yl]carbazole is sourced from PubChem (CID 163525091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).