1-N-dibenzofuran-3-yl-1-N,7-N,7-N-triphenyldibenzofuran-1,7-diamine

C42H28N2O2 — CID 146573998

IUPAC1-N-dibenzofuran-3-yl-1-N,7-N,7-N-triphenyldibenzofuran-1,7-diamine
SMILESc1ccc(N(c2ccccc2)c2ccc3c(c2)oc2cccc(N(c4ccccc4)c4ccc5c(c4)oc4ccccc45)c23)cc1
InChIInChI=1S/C42H28N2O2/c1-4-13-29(14-5-1)43(30-15-6-2-7-16-30)32-24-26-36-41(27-32)46-39-22-12-20-37(42(36)39)44(31-17-8-3-9-18-31)33-23-25-35-34-19-10-11-21-38(34)45-40(35)28-33/h1-28H
InChIKeyBUTKIEFTNRTKDL-UHFFFAOYSA-N
MW592.70 g/mol
LogP12.43
Rot. Bonds6

About 1-N-dibenzofuran-3-yl-1-N,7-N,7-N-triphenyldibenzofuran-1,7-diamine

1-N-dibenzofuran-3-yl-1-N,7-N,7-N-triphenyldibenzofuran-1,7-diamine (PubChem CID 146573998) has the molecular formula C42H28N2O2 and a molecular weight of 592.70 g/mol. Its IUPAC name is 1-N-dibenzofuran-3-yl-1-N,7-N,7-N-triphenyldibenzofuran-1,7-diamine.

Molecular Properties

Compound Name1-N-dibenzofuran-3-yl-1-N,7-N,7-N-triphenyldibenzofuran-1,7-diamine
PubChem CID146573998
Molecular FormulaC42H28N2O2
Molecular Weight592.70 g/mol
Exact Mass592.22
IUPAC Name1-N-dibenzofuran-3-yl-1-N,7-N,7-N-triphenyldibenzofuran-1,7-diamine
SMILESc1ccc(N(c2ccccc2)c2ccc3c(c2)oc2cccc(N(c4ccccc4)c4ccc5c(c4)oc4ccccc45)c23)cc1
InChIInChI=1S/C42H28N2O2/c1-4-13-29(14-5-1)43(30-15-6-2-7-16-30)32-24-26-36-41(27-32)46-39-22-12-20-37(42(36)39)44(31-17-8-3-9-18-31)33-23-25-35-34-19-10-11-21-38(34)45-40(35)28-33/h1-28H
InChIKeyBUTKIEFTNRTKDL-UHFFFAOYSA-N
XLogP12.43
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.70
LogP ≤ 512.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-N,22-N-di(dibenzofuran-1-yl)-8-N,22-N-diphenyl-11,15,19-trioxaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5(10),6,8,12,17,20(25),21,23,26-dodecaene-8,22-diamine
CID 170235172
1-N,3-N-di(dibenzofuran-3-yl)-1-N,3-N-diphenylbenzene-1,3-diamine
CID 71126632
N-phenyl-N-[4-[4-(1,2,2-triphenylethenyl)phenyl]phenyl]dibenzofuran-1-amine;N-phenyl-N-[4-[4-(1,2,2-triphenylethenyl)phenyl]phenyl]dibenzofuran-2-amine;N-phenyl-N-[4-[4-(1,2,2-triphenylethenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 159183519
1-N-dibenzofuran-2-yl-3-N-dibenzofuran-3-yl-3-N-[3-(N-dibenzofuran-2-ylanilino)phenyl]-1-N-phenylbenzene-1,3-diamine
CID 134198303
N-[3-[3-[N-dibenzofuran-1-yl-4-(4-phenylphenyl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 167086573
6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-diphenyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine
CID 162475564
1-N,10-N-di(dibenzofuran-3-yl)-1-N,10-N-diphenylchrysene-1,10-diamine
CID 170410635
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
1-N-dibenzofuran-3-yl-1-N,8-N,8-N-triphenyldibenzothiophene-1,8-diamine
CID 146580399
N-[3-[3-(N-dibenzofuran-1-yl-3-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)dibenzofuran-1-amine
CID 167086811
8-(8-dibenzofuran-3-yldibenzofuran-2-yl)-N,N-diphenyldibenzofuran-1-amine
CID 174244453
8-N-dibenzofuran-3-yl-8-N-(4-naphthalen-2-ylphenyl)-1-N,1-N-diphenyldibenzofuran-1,8-diamine
CID 146573619

Frequently Asked Questions

What is the IUPAC name of 1-N-dibenzofuran-3-yl-1-N,7-N,7-N-triphenyldibenzofuran-1,7-diamine?
The IUPAC name of 1-N-dibenzofuran-3-yl-1-N,7-N,7-N-triphenyldibenzofuran-1,7-diamine (CID 146573998) is 1-N-dibenzofuran-3-yl-1-N,7-N,7-N-triphenyldibenzofuran-1,7-diamine.
What is the SMILES notation for 1-N-dibenzofuran-3-yl-1-N,7-N,7-N-triphenyldibenzofuran-1,7-diamine?
The canonical SMILES for 1-N-dibenzofuran-3-yl-1-N,7-N,7-N-triphenyldibenzofuran-1,7-diamine is c1ccc(N(c2ccccc2)c2ccc3c(c2)oc2cccc(N(c4ccccc4)c4ccc5c(c4)oc4ccccc45)c23)cc1.
What is the InChIKey of 1-N-dibenzofuran-3-yl-1-N,7-N,7-N-triphenyldibenzofuran-1,7-diamine?
The InChIKey is BUTKIEFTNRTKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28N2O2/c1-4-13-29(14-5-1)43(30-15-6-2-7-16-30)32-24-26-36-41(27-32)46-39-22-12-20-37(42(36)39)44(31-17-8-3-9-18-31)33-23-25-35-34-19-10-11-21-38(34)45-40(35)28-33/h1-28H.
What are the key properties of 1-N-dibenzofuran-3-yl-1-N,7-N,7-N-triphenyldibenzofuran-1,7-diamine?
1-N-dibenzofuran-3-yl-1-N,7-N,7-N-triphenyldibenzofuran-1,7-diamine has a molecular weight of 592.70 g/mol, XLogP of 12.43, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-dibenzofuran-3-yl-1-N,7-N,7-N-triphenyldibenzofuran-1,7-diamine is sourced from PubChem (CID 146573998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).