1-N,3-N-di(dibenzofuran-3-yl)-1-N,3-N-diphenylbenzene-1,3-diamine

C42H28N2O2 — CID 71126632

IUPAC1-N,3-N-di(dibenzofuran-3-yl)-1-N,3-N-diphenylbenzene-1,3-diamine
SMILESc1ccc(N(c2cccc(N(c3ccccc3)c3ccc4c(c3)oc3ccccc34)c2)c2ccc3c(c2)oc2ccccc23)cc1
InChIInChI=1S/C42H28N2O2/c1-3-12-29(13-4-1)43(33-22-24-37-35-18-7-9-20-39(35)45-41(37)27-33)31-16-11-17-32(26-31)44(30-14-5-2-6-15-30)34-23-25-38-36-19-8-10-21-40(36)46-42(38)28-34/h1-28H
InChIKeyLZFBBKVMWBJZEM-UHFFFAOYSA-N
MW592.70 g/mol
LogP12.43
Rot. Bonds6

About 1-N,3-N-di(dibenzofuran-3-yl)-1-N,3-N-diphenylbenzene-1,3-diamine

1-N,3-N-di(dibenzofuran-3-yl)-1-N,3-N-diphenylbenzene-1,3-diamine (PubChem CID 71126632) has the molecular formula C42H28N2O2 and a molecular weight of 592.70 g/mol. Its IUPAC name is 1-N,3-N-di(dibenzofuran-3-yl)-1-N,3-N-diphenylbenzene-1,3-diamine.

Molecular Properties

Compound Name1-N,3-N-di(dibenzofuran-3-yl)-1-N,3-N-diphenylbenzene-1,3-diamine
PubChem CID71126632
Molecular FormulaC42H28N2O2
Molecular Weight592.70 g/mol
Exact Mass592.22
IUPAC Name1-N,3-N-di(dibenzofuran-3-yl)-1-N,3-N-diphenylbenzene-1,3-diamine
SMILESc1ccc(N(c2cccc(N(c3ccccc3)c3ccc4c(c3)oc3ccccc34)c2)c2ccc3c(c2)oc2ccccc23)cc1
InChIInChI=1S/C42H28N2O2/c1-3-12-29(13-4-1)43(33-22-24-37-35-18-7-9-20-39(35)45-41(37)27-33)31-16-11-17-32(26-31)44(30-14-5-2-6-15-30)34-23-25-38-36-19-8-10-21-40(36)46-42(38)28-34/h1-28H
InChIKeyLZFBBKVMWBJZEM-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

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-(4-phenylphenyl)-N-[3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-3-amine
CID 118924585
1-N-dibenzofuran-3-yl-1-N,7-N,7-N-triphenyldibenzofuran-1,7-diamine
CID 146573998
N-[3-(4-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 121311330
N,N-bis(4-phenylphenyl)dibenzofuran-3-amine
CID 121311287
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-[4-(3-phenylphenyl)phenyl]phenyl]-N-[4-[4-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-3-amine
CID 121311323
N-[4-[3-(4-phenylphenyl)phenyl]phenyl]-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 121311288
5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-diphenyl-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-5,11-diamine
CID 164813150
2-N-dibenzofuran-3-yl-2-N,7-N-diphenyl-7-N-(4-phenylphenyl)dibenzofuran-2,7-diamine
CID 146576058
3-[3-(N-(4-dibenzofuran-3-ylphenyl)-4-phenylanilino)phenyl]-N,N-diphenylaniline
CID 167086965
N-dibenzofuran-3-yl-N-phenyldibenzo-p-dioxin-2-amine
CID 126629752

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-di(dibenzofuran-3-yl)-1-N,3-N-diphenylbenzene-1,3-diamine?
The IUPAC name of 1-N,3-N-di(dibenzofuran-3-yl)-1-N,3-N-diphenylbenzene-1,3-diamine (CID 71126632) is 1-N,3-N-di(dibenzofuran-3-yl)-1-N,3-N-diphenylbenzene-1,3-diamine.
What is the SMILES notation for 1-N,3-N-di(dibenzofuran-3-yl)-1-N,3-N-diphenylbenzene-1,3-diamine?
The canonical SMILES for 1-N,3-N-di(dibenzofuran-3-yl)-1-N,3-N-diphenylbenzene-1,3-diamine is c1ccc(N(c2cccc(N(c3ccccc3)c3ccc4c(c3)oc3ccccc34)c2)c2ccc3c(c2)oc2ccccc23)cc1.
What is the InChIKey of 1-N,3-N-di(dibenzofuran-3-yl)-1-N,3-N-diphenylbenzene-1,3-diamine?
The InChIKey is LZFBBKVMWBJZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28N2O2/c1-3-12-29(13-4-1)43(33-22-24-37-35-18-7-9-20-39(35)45-41(37)27-33)31-16-11-17-32(26-31)44(30-14-5-2-6-15-30)34-23-25-38-36-19-8-10-21-40(36)46-42(38)28-34/h1-28H.
What are the key properties of 1-N,3-N-di(dibenzofuran-3-yl)-1-N,3-N-diphenylbenzene-1,3-diamine?
1-N,3-N-di(dibenzofuran-3-yl)-1-N,3-N-diphenylbenzene-1,3-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,3-N-di(dibenzofuran-3-yl)-1-N,3-N-diphenylbenzene-1,3-diamine is sourced from PubChem (CID 71126632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).