4-dibenzofuran-2-yl-6-dibenzofuran-3-yl-N-dibenzofuran-4-yl-N-phenyl-1,3,5-triazin-2-amine

C45H26N4O3 — CID 171726902

IUPAC4-dibenzofuran-2-yl-6-dibenzofuran-3-yl-N-dibenzofuran-4-yl-N-phenyl-1,3,5-triazin-2-amine
SMILESc1ccc(N(c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-c3ccc4oc5ccccc5c4c3)n2)c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C45H26N4O3/c1-2-11-29(12-3-1)49(36-17-10-16-34-31-14-5-9-20-39(31)52-42(34)36)45-47-43(27-22-24-40-35(25-27)32-15-6-8-19-38(32)50-40)46-44(48-45)28-21-23-33-30-13-4-7-18-37(30)51-41(33)26-28/h1-26H
InChIKeyHDCQMQUNXSSLFO-UHFFFAOYSA-N
MW670.73 g/mol
LogP12.37
Rot. Bonds5

About 4-dibenzofuran-2-yl-6-dibenzofuran-3-yl-N-dibenzofuran-4-yl-N-phenyl-1,3,5-triazin-2-amine

4-dibenzofuran-2-yl-6-dibenzofuran-3-yl-N-dibenzofuran-4-yl-N-phenyl-1,3,5-triazin-2-amine (PubChem CID 171726902) has the molecular formula C45H26N4O3 and a molecular weight of 670.73 g/mol. Its IUPAC name is 4-dibenzofuran-2-yl-6-dibenzofuran-3-yl-N-dibenzofuran-4-yl-N-phenyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-dibenzofuran-2-yl-6-dibenzofuran-3-yl-N-dibenzofuran-4-yl-N-phenyl-1,3,5-triazin-2-amine
PubChem CID171726902
Molecular FormulaC45H26N4O3
Molecular Weight670.73 g/mol
Exact Mass670.20
IUPAC Name4-dibenzofuran-2-yl-6-dibenzofuran-3-yl-N-dibenzofuran-4-yl-N-phenyl-1,3,5-triazin-2-amine
SMILESc1ccc(N(c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-c3ccc4oc5ccccc5c4c3)n2)c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C45H26N4O3/c1-2-11-29(12-3-1)49(36-17-10-16-34-31-14-5-9-20-39(31)52-42(34)36)45-47-43(27-22-24-40-35(25-27)32-15-6-8-19-38(32)50-40)46-44(48-45)28-21-23-33-30-13-4-7-18-37(30)51-41(33)26-28/h1-26H
InChIKeyHDCQMQUNXSSLFO-UHFFFAOYSA-N
XLogP12.37
TPSA81.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500670.73
LogP ≤ 512.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

7-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 170095984
4-dibenzofuran-2-yl-N,N-di(dibenzofuran-3-yl)-6-dibenzofuran-4-yl-1,3,5-triazin-2-amine
CID 171727253
N-dibenzofuran-1-yl-4-dibenzofuran-2-yl-N-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-amine
CID 171727085
4-dibenzofuran-2-yl-N,N,6-tri(dibenzofuran-3-yl)-1,3,5-triazin-2-amine
CID 171726990
N,4-di(dibenzofuran-2-yl)-N,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-amine
CID 171726991
7-(7-dibenzofuran-3-yldibenzofuran-3-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 174244796
7-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 170096125
N,N-di(dibenzofuran-1-yl)-4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-amine
CID 171727191
3-N-dibenzofuran-4-yl-3-N-(4-dibenzofuran-2-ylphenyl)-1-N,1-N,5-N,5-N-tetraphenylbenzene-1,3,5-triamine
CID 139393694
7-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 170095890
N,17-diphenyl-N-(4-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-8-amine
CID 171050051
N-(4-dibenzofuran-3-ylphenyl)-N-phenylnaphtho[1,2-b][1]benzofuran-10-amine
CID 168804046

Frequently Asked Questions

What is the IUPAC name of 4-dibenzofuran-2-yl-6-dibenzofuran-3-yl-N-dibenzofuran-4-yl-N-phenyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-dibenzofuran-2-yl-6-dibenzofuran-3-yl-N-dibenzofuran-4-yl-N-phenyl-1,3,5-triazin-2-amine (CID 171726902) is 4-dibenzofuran-2-yl-6-dibenzofuran-3-yl-N-dibenzofuran-4-yl-N-phenyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-dibenzofuran-2-yl-6-dibenzofuran-3-yl-N-dibenzofuran-4-yl-N-phenyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-dibenzofuran-2-yl-6-dibenzofuran-3-yl-N-dibenzofuran-4-yl-N-phenyl-1,3,5-triazin-2-amine is c1ccc(N(c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-c3ccc4oc5ccccc5c4c3)n2)c2cccc3c2oc2ccccc23)cc1.
What is the InChIKey of 4-dibenzofuran-2-yl-6-dibenzofuran-3-yl-N-dibenzofuran-4-yl-N-phenyl-1,3,5-triazin-2-amine?
The InChIKey is HDCQMQUNXSSLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H26N4O3/c1-2-11-29(12-3-1)49(36-17-10-16-34-31-14-5-9-20-39(31)52-42(34)36)45-47-43(27-22-24-40-35(25-27)32-15-6-8-19-38(32)50-40)46-44(48-45)28-21-23-33-30-13-4-7-18-37(30)51-41(33)26-28/h1-26H.
What are the key properties of 4-dibenzofuran-2-yl-6-dibenzofuran-3-yl-N-dibenzofuran-4-yl-N-phenyl-1,3,5-triazin-2-amine?
4-dibenzofuran-2-yl-6-dibenzofuran-3-yl-N-dibenzofuran-4-yl-N-phenyl-1,3,5-triazin-2-amine has a molecular weight of 670.73 g/mol, XLogP of 12.37, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzofuran-2-yl-6-dibenzofuran-3-yl-N-dibenzofuran-4-yl-N-phenyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 171726902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).