N-dibenzofuran-1-yl-N-dibenzofuran-3-yl-5-(4-phenylphenyl)pyrimidin-2-amine

C40H25N3O2 — CID 155139601

IUPACN-dibenzofuran-1-yl-N-dibenzofuran-3-yl-5-(4-phenylphenyl)pyrimidin-2-amine
SMILESc1ccc(-c2ccc(-c3cnc(N(c4ccc5c(c4)oc4ccccc45)c4cccc5oc6ccccc6c45)nc3)cc2)cc1
InChIInChI=1S/C40H25N3O2/c1-2-9-26(10-3-1)27-17-19-28(20-18-27)29-24-41-40(42-25-29)43(30-21-22-32-31-11-4-6-14-35(31)45-38(32)23-30)34-13-8-16-37-39(34)33-12-5-7-15-36(33)44-37/h1-25H
InChIKeyXGBNXZXUBGJAMF-UHFFFAOYSA-N
MW579.66 g/mol
LogP11.08
Rot. Bonds5

About N-dibenzofuran-1-yl-N-dibenzofuran-3-yl-5-(4-phenylphenyl)pyrimidin-2-amine

N-dibenzofuran-1-yl-N-dibenzofuran-3-yl-5-(4-phenylphenyl)pyrimidin-2-amine (PubChem CID 155139601) has the molecular formula C40H25N3O2 and a molecular weight of 579.66 g/mol. Its IUPAC name is N-dibenzofuran-1-yl-N-dibenzofuran-3-yl-5-(4-phenylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-dibenzofuran-1-yl-N-dibenzofuran-3-yl-5-(4-phenylphenyl)pyrimidin-2-amine
PubChem CID155139601
Molecular FormulaC40H25N3O2
Molecular Weight579.66 g/mol
Exact Mass579.19
IUPAC NameN-dibenzofuran-1-yl-N-dibenzofuran-3-yl-5-(4-phenylphenyl)pyrimidin-2-amine
SMILESc1ccc(-c2ccc(-c3cnc(N(c4ccc5c(c4)oc4ccccc45)c4cccc5oc6ccccc6c45)nc3)cc2)cc1
InChIInChI=1S/C40H25N3O2/c1-2-9-26(10-3-1)27-17-19-28(20-18-27)29-24-41-40(42-25-29)43(30-21-22-32-31-11-4-6-14-35(31)45-38(32)23-30)34-13-8-16-37-39(34)33-12-5-7-15-36(33)44-37/h1-25H
InChIKeyXGBNXZXUBGJAMF-UHFFFAOYSA-N
XLogP11.08
TPSA55.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.66
LogP ≤ 511.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-dibenzofuran-1-yl-4-dibenzofuran-2-yl-N-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-amine
CID 171727085
N-[2-[2-(N-dibenzofuran-3-yl-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 167086852
1-N-dibenzofuran-3-yl-1-N,7-N,7-N-triphenyldibenzofuran-1,7-diamine
CID 146573998
N,N-bis(4-phenylphenyl)dibenzofuran-3-amine
CID 121311287
N-[3-[3-[N-dibenzofuran-1-yl-4-(4-phenylphenyl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 167086573
N,N-bis(4-phenylphenyl)-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-amine
CID 171050107
N-[4-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-1-amine
CID 174321862
3-N,7-N-di(dibenzofuran-3-yl)-3-N,7-N-bis(4-phenylphenyl)-[1]benzofuro[3,2-b]pyridine-3,7-diamine
CID 164813283
N-[3-[3-(N-dibenzofuran-1-yl-3-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)dibenzofuran-1-amine
CID 167086811
N-(4-phenylphenyl)-N-[4-[3-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine;N-(4-phenylphenyl)-N-[4-[3-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-3-amine
CID 160832647
N-[4-[3-(4-phenylphenyl)phenyl]phenyl]-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 121311288
N-[4-[4-(3-phenylphenyl)phenyl]phenyl]-N-[4-[4-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-3-amine
CID 121311323

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-1-yl-N-dibenzofuran-3-yl-5-(4-phenylphenyl)pyrimidin-2-amine?
The IUPAC name of N-dibenzofuran-1-yl-N-dibenzofuran-3-yl-5-(4-phenylphenyl)pyrimidin-2-amine (CID 155139601) is N-dibenzofuran-1-yl-N-dibenzofuran-3-yl-5-(4-phenylphenyl)pyrimidin-2-amine.
What is the SMILES notation for N-dibenzofuran-1-yl-N-dibenzofuran-3-yl-5-(4-phenylphenyl)pyrimidin-2-amine?
The canonical SMILES for N-dibenzofuran-1-yl-N-dibenzofuran-3-yl-5-(4-phenylphenyl)pyrimidin-2-amine is c1ccc(-c2ccc(-c3cnc(N(c4ccc5c(c4)oc4ccccc45)c4cccc5oc6ccccc6c45)nc3)cc2)cc1.
What is the InChIKey of N-dibenzofuran-1-yl-N-dibenzofuran-3-yl-5-(4-phenylphenyl)pyrimidin-2-amine?
The InChIKey is XGBNXZXUBGJAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25N3O2/c1-2-9-26(10-3-1)27-17-19-28(20-18-27)29-24-41-40(42-25-29)43(30-21-22-32-31-11-4-6-14-35(31)45-38(32)23-30)34-13-8-16-37-39(34)33-12-5-7-15-36(33)44-37/h1-25H.
What are the key properties of N-dibenzofuran-1-yl-N-dibenzofuran-3-yl-5-(4-phenylphenyl)pyrimidin-2-amine?
N-dibenzofuran-1-yl-N-dibenzofuran-3-yl-5-(4-phenylphenyl)pyrimidin-2-amine has a molecular weight of 579.66 g/mol, XLogP of 11.08, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-1-yl-N-dibenzofuran-3-yl-5-(4-phenylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 155139601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).