4-N-dibenzofuran-3-yl-2-methyl-1-N,1-N,4-N-triphenylbenzene-1,4-diamine

C37H28N2O — CID 134471591

IUPAC4-N-dibenzofuran-3-yl-2-methyl-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
SMILESCc1cc(N(c2ccccc2)c2ccc3c(c2)oc2ccccc23)ccc1N(c1ccccc1)c1ccccc1
InChIInChI=1S/C37H28N2O/c1-27-25-31(22-24-35(27)39(29-15-7-3-8-16-29)30-17-9-4-10-18-30)38(28-13-5-2-6-14-28)32-21-23-34-33-19-11-12-20-36(33)40-37(34)26-32/h2-26H,1H3
InChIKeyNQLHRKMFINKYCZ-UHFFFAOYSA-N
MW516.64 g/mol
LogP10.83
Rot. Bonds6

About 4-N-dibenzofuran-3-yl-2-methyl-1-N,1-N,4-N-triphenylbenzene-1,4-diamine

4-N-dibenzofuran-3-yl-2-methyl-1-N,1-N,4-N-triphenylbenzene-1,4-diamine (PubChem CID 134471591) has the molecular formula C37H28N2O and a molecular weight of 516.64 g/mol. Its IUPAC name is 4-N-dibenzofuran-3-yl-2-methyl-1-N,1-N,4-N-triphenylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-dibenzofuran-3-yl-2-methyl-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
PubChem CID134471591
Molecular FormulaC37H28N2O
Molecular Weight516.64 g/mol
Exact Mass516.22
IUPAC Name4-N-dibenzofuran-3-yl-2-methyl-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
SMILESCc1cc(N(c2ccccc2)c2ccc3c(c2)oc2ccccc23)ccc1N(c1ccccc1)c1ccccc1
InChIInChI=1S/C37H28N2O/c1-27-25-31(22-24-35(27)39(29-15-7-3-8-16-29)30-17-9-4-10-18-30)38(28-13-5-2-6-14-28)32-21-23-34-33-19-11-12-20-36(33)40-37(34)26-32/h2-26H,1H3
InChIKeyNQLHRKMFINKYCZ-UHFFFAOYSA-N
XLogP10.83
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.64
LogP ≤ 510.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,4-N,4-N-tri(dibenzofuran-3-yl)-2-methyl-1-N-phenylbenzene-1,4-diamine
CID 134471596
1-N,3-N-di(dibenzofuran-3-yl)-1-N,3-N-diphenylbenzene-1,3-diamine
CID 71126632
1-N-dibenzofuran-3-yl-1-N,7-N,7-N-triphenyldibenzofuran-1,7-diamine
CID 146573998
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,N-bis(4-phenylphenyl)dibenzofuran-3-amine
CID 121311287
N-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]ethyl]phenyl]dibenzofuran-3-amine
CID 168810641
N-dibenzofuran-3-yl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)naphthalen-1-yl]phenyl]dibenzofuran-3-amine
CID 71126774
1-N,6-N-di(dibenzofuran-2-yl)-3,8-dimethyl-1-N,6-N-diphenylpyrene-1,6-diamine
CID 58461968
CID 170675719
CID 170675719
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
N-dibenzofuran-3-yl-N-phenyldibenzo-p-dioxin-2-amine
CID 126629752
N-[3-(4-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 121311330

Frequently Asked Questions

What is the IUPAC name of 4-N-dibenzofuran-3-yl-2-methyl-1-N,1-N,4-N-triphenylbenzene-1,4-diamine?
The IUPAC name of 4-N-dibenzofuran-3-yl-2-methyl-1-N,1-N,4-N-triphenylbenzene-1,4-diamine (CID 134471591) is 4-N-dibenzofuran-3-yl-2-methyl-1-N,1-N,4-N-triphenylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-dibenzofuran-3-yl-2-methyl-1-N,1-N,4-N-triphenylbenzene-1,4-diamine?
The canonical SMILES for 4-N-dibenzofuran-3-yl-2-methyl-1-N,1-N,4-N-triphenylbenzene-1,4-diamine is Cc1cc(N(c2ccccc2)c2ccc3c(c2)oc2ccccc23)ccc1N(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-N-dibenzofuran-3-yl-2-methyl-1-N,1-N,4-N-triphenylbenzene-1,4-diamine?
The InChIKey is NQLHRKMFINKYCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H28N2O/c1-27-25-31(22-24-35(27)39(29-15-7-3-8-16-29)30-17-9-4-10-18-30)38(28-13-5-2-6-14-28)32-21-23-34-33-19-11-12-20-36(33)40-37(34)26-32/h2-26H,1H3.
What are the key properties of 4-N-dibenzofuran-3-yl-2-methyl-1-N,1-N,4-N-triphenylbenzene-1,4-diamine?
4-N-dibenzofuran-3-yl-2-methyl-1-N,1-N,4-N-triphenylbenzene-1,4-diamine has a molecular weight of 516.64 g/mol, XLogP of 10.83, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-dibenzofuran-3-yl-2-methyl-1-N,1-N,4-N-triphenylbenzene-1,4-diamine is sourced from PubChem (CID 134471591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).