N-dibenzofuran-3-yl-N-triphenylen-2-yldibenzofuran-4-amine

C42H25NO2 — CID 166845761

IUPACN-dibenzofuran-3-yl-N-triphenylen-2-yldibenzofuran-4-amine
SMILESc1ccc2c(c1)oc1cc(N(c3ccc4c5ccccc5c5ccccc5c4c3)c3cccc4c3oc3ccccc34)ccc12
InChIInChI=1S/C42H25NO2/c1-2-12-30-28(10-1)29-11-3-4-13-31(29)37-24-26(20-22-32(30)37)43(27-21-23-35-33-14-5-7-18-39(33)44-41(35)25-27)38-17-9-16-36-34-15-6-8-19-40(34)45-42(36)38/h1-25H
InChIKeyQUHLHBDFTJKECU-UHFFFAOYSA-N
MW575.67 g/mol
LogP12.41
Rot. Bonds3

About N-dibenzofuran-3-yl-N-triphenylen-2-yldibenzofuran-4-amine

N-dibenzofuran-3-yl-N-triphenylen-2-yldibenzofuran-4-amine (PubChem CID 166845761) has the molecular formula C42H25NO2 and a molecular weight of 575.67 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-N-triphenylen-2-yldibenzofuran-4-amine.

Molecular Properties

Compound NameN-dibenzofuran-3-yl-N-triphenylen-2-yldibenzofuran-4-amine
PubChem CID166845761
Molecular FormulaC42H25NO2
Molecular Weight575.67 g/mol
Exact Mass575.19
IUPAC NameN-dibenzofuran-3-yl-N-triphenylen-2-yldibenzofuran-4-amine
SMILESc1ccc2c(c1)oc1cc(N(c3ccc4c5ccccc5c5ccccc5c4c3)c3cccc4c3oc3ccccc34)ccc12
InChIInChI=1S/C42H25NO2/c1-2-12-30-28(10-1)29-11-3-4-13-31(29)37-24-26(20-22-32(30)37)43(27-21-23-35-33-14-5-7-18-39(33)44-41(35)25-27)38-17-9-16-36-34-15-6-8-19-40(34)45-42(36)38/h1-25H
InChIKeyQUHLHBDFTJKECU-UHFFFAOYSA-N
XLogP12.41
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.67
LogP ≤ 512.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

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
N-dibenzofuran-3-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 121241788
N-dibenzofuran-4-yl-N-phenyl-10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16,18,20-undecaen-7-amine
CID 162475643
5-N,18-N-di(dibenzofuran-4-yl)-5-N,18-N-bis(4-methylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine
CID 121260388
6-N-dibenzofuran-2-yl-2-N,2-N,6-N-triphenyldibenzofuran-2,6-diamine
CID 167208512
5-N,18-N-di(dibenzofuran-4-yl)-5-N,18-N-bis(3,5-diphenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine
CID 121260395
9-N-dibenzofuran-4-yl-5-N,5-N,9-N-triphenylnaphtho[1,2-b][1]benzofuran-5,9-diamine
CID 155172997
N-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-19-yl)-N-triphenylen-2-yldibenzofuran-4-amine
CID 146494934
5-N,19-N-di(dibenzofuran-2-yl)-5-N,19-N-di(dibenzofuran-4-yl)-23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaene-5,19-diamine
CID 146494248
7-N-(1-chlorodibenzofuran-3-yl)-2-N-dibenzofuran-4-yl-2-N,7-N-diphenyldibenzofuran-2,7-diamine
CID 146551038
7-(7-dibenzofuran-3-yldibenzofuran-3-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 174244796
N,N-di(dibenzofuran-2-yl)naphtho[1,2-b][1]benzofuran-10-amine
CID 168804115

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-3-yl-N-triphenylen-2-yldibenzofuran-4-amine?
The IUPAC name of N-dibenzofuran-3-yl-N-triphenylen-2-yldibenzofuran-4-amine (CID 166845761) is N-dibenzofuran-3-yl-N-triphenylen-2-yldibenzofuran-4-amine.
What is the SMILES notation for N-dibenzofuran-3-yl-N-triphenylen-2-yldibenzofuran-4-amine?
The canonical SMILES for N-dibenzofuran-3-yl-N-triphenylen-2-yldibenzofuran-4-amine is c1ccc2c(c1)oc1cc(N(c3ccc4c5ccccc5c5ccccc5c4c3)c3cccc4c3oc3ccccc34)ccc12.
What is the InChIKey of N-dibenzofuran-3-yl-N-triphenylen-2-yldibenzofuran-4-amine?
The InChIKey is QUHLHBDFTJKECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H25NO2/c1-2-12-30-28(10-1)29-11-3-4-13-31(29)37-24-26(20-22-32(30)37)43(27-21-23-35-33-14-5-7-18-39(33)44-41(35)25-27)38-17-9-16-36-34-15-6-8-19-40(34)45-42(36)38/h1-25H.
What are the key properties of N-dibenzofuran-3-yl-N-triphenylen-2-yldibenzofuran-4-amine?
N-dibenzofuran-3-yl-N-triphenylen-2-yldibenzofuran-4-amine has a molecular weight of 575.67 g/mol, XLogP of 12.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-3-yl-N-triphenylen-2-yldibenzofuran-4-amine is sourced from PubChem (CID 166845761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).