N,N-diphenyl-8-(4-phenyl-3,4-dihydro-[1]benzofuro[3,2-d]pyrimidin-2-yl)dibenzofuran-1-amine

C40H27N3O2 — CID 147440373

IUPACN,N-diphenyl-8-(4-phenyl-3,4-dihydro-[1]benzofuro[3,2-d]pyrimidin-2-yl)dibenzofuran-1-amine
SMILESc1ccc(C2NC(c3ccc4oc5cccc(N(c6ccccc6)c6ccccc6)c5c4c3)=Nc3c2oc2ccccc32)cc1
InChIInChI=1S/C40H27N3O2/c1-4-13-26(14-5-1)37-39-38(30-19-10-11-21-33(30)45-39)42-40(41-37)27-23-24-34-31(25-27)36-32(20-12-22-35(36)44-34)43(28-15-6-2-7-16-28)29-17-8-3-9-18-29/h1-25,37H,(H,41,42)
InChIKeyDWCLDIZVSNGCHZ-UHFFFAOYSA-N
MW581.68 g/mol
LogP10.57
Rot. Bonds5

About N,N-diphenyl-8-(4-phenyl-3,4-dihydro-[1]benzofuro[3,2-d]pyrimidin-2-yl)dibenzofuran-1-amine

N,N-diphenyl-8-(4-phenyl-3,4-dihydro-[1]benzofuro[3,2-d]pyrimidin-2-yl)dibenzofuran-1-amine (PubChem CID 147440373) has the molecular formula C40H27N3O2 and a molecular weight of 581.68 g/mol. Its IUPAC name is N,N-diphenyl-8-(4-phenyl-3,4-dihydro-[1]benzofuro[3,2-d]pyrimidin-2-yl)dibenzofuran-1-amine.

Molecular Properties

Compound NameN,N-diphenyl-8-(4-phenyl-3,4-dihydro-[1]benzofuro[3,2-d]pyrimidin-2-yl)dibenzofuran-1-amine
PubChem CID147440373
Molecular FormulaC40H27N3O2
Molecular Weight581.68 g/mol
Exact Mass581.21
IUPAC NameN,N-diphenyl-8-(4-phenyl-3,4-dihydro-[1]benzofuro[3,2-d]pyrimidin-2-yl)dibenzofuran-1-amine
SMILESc1ccc(C2NC(c3ccc4oc5cccc(N(c6ccccc6)c6ccccc6)c5c4c3)=Nc3c2oc2ccccc32)cc1
InChIInChI=1S/C40H27N3O2/c1-4-13-26(14-5-1)37-39-38(30-19-10-11-21-33(30)45-39)42-40(41-37)27-23-24-34-31(25-27)36-32(20-12-22-35(36)44-34)43(28-15-6-2-7-16-28)29-17-8-3-9-18-29/h1-25,37H,(H,41,42)
InChIKeyDWCLDIZVSNGCHZ-UHFFFAOYSA-N
XLogP10.57
TPSA53.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.68
LogP ≤ 510.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-[3-[3-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-8-yl)phenyl]phenyl]-2,4-diphenyl-3,4-dihydro-[1]benzofuro[3,2-d]pyrimidine
CID 164569344
8-(8-dibenzofuran-3-yldibenzofuran-2-yl)-N,N-diphenyldibenzofuran-1-amine
CID 174244453
8-phenyl-N,N-bis[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 167397321
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
1-N-dibenzofuran-2-yl-1-N,5-N-diphenyl-5-N-(4-phenylphenyl)naphthalene-1,5-diamine
CID 166917710
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
N-dibenzofuran-2-yl-8-(9-phenyl-9H-fluoren-3-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 171448031
N-[3-[3-(N-dibenzofuran-1-yl-3-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)dibenzofuran-1-amine
CID 167086811
N-dibenzofuran-1-yl-5-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine
CID 170301401
N-phenyl-N-[4-(5,6,7,8-tetraphenylnaphthalen-2-yl)phenyl]dibenzofuran-1-amine
CID 158699050
N-(4-dibenzofuran-2-ylphenyl)-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-1-amine
CID 172502866

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-8-(4-phenyl-3,4-dihydro-[1]benzofuro[3,2-d]pyrimidin-2-yl)dibenzofuran-1-amine?
The IUPAC name of N,N-diphenyl-8-(4-phenyl-3,4-dihydro-[1]benzofuro[3,2-d]pyrimidin-2-yl)dibenzofuran-1-amine (CID 147440373) is N,N-diphenyl-8-(4-phenyl-3,4-dihydro-[1]benzofuro[3,2-d]pyrimidin-2-yl)dibenzofuran-1-amine.
What is the SMILES notation for N,N-diphenyl-8-(4-phenyl-3,4-dihydro-[1]benzofuro[3,2-d]pyrimidin-2-yl)dibenzofuran-1-amine?
The canonical SMILES for N,N-diphenyl-8-(4-phenyl-3,4-dihydro-[1]benzofuro[3,2-d]pyrimidin-2-yl)dibenzofuran-1-amine is c1ccc(C2NC(c3ccc4oc5cccc(N(c6ccccc6)c6ccccc6)c5c4c3)=Nc3c2oc2ccccc32)cc1.
What is the InChIKey of N,N-diphenyl-8-(4-phenyl-3,4-dihydro-[1]benzofuro[3,2-d]pyrimidin-2-yl)dibenzofuran-1-amine?
The InChIKey is DWCLDIZVSNGCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H27N3O2/c1-4-13-26(14-5-1)37-39-38(30-19-10-11-21-33(30)45-39)42-40(41-37)27-23-24-34-31(25-27)36-32(20-12-22-35(36)44-34)43(28-15-6-2-7-16-28)29-17-8-3-9-18-29/h1-25,37H,(H,41,42).
What are the key properties of N,N-diphenyl-8-(4-phenyl-3,4-dihydro-[1]benzofuro[3,2-d]pyrimidin-2-yl)dibenzofuran-1-amine?
N,N-diphenyl-8-(4-phenyl-3,4-dihydro-[1]benzofuro[3,2-d]pyrimidin-2-yl)dibenzofuran-1-amine has a molecular weight of 581.68 g/mol, XLogP of 10.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-8-(4-phenyl-3,4-dihydro-[1]benzofuro[3,2-d]pyrimidin-2-yl)dibenzofuran-1-amine is sourced from PubChem (CID 147440373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).