1-N,4-N,4-N-tri(dibenzofuran-3-yl)-2-methyl-1-N-phenylbenzene-1,4-diamine

C49H32N2O3 — CID 134471596

IUPAC1-N,4-N,4-N-tri(dibenzofuran-3-yl)-2-methyl-1-N-phenylbenzene-1,4-diamine
SMILESCc1cc(N(c2ccc3c(c2)oc2ccccc23)c2ccc3c(c2)oc2ccccc23)ccc1N(c1ccccc1)c1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C49H32N2O3/c1-31-27-33(22-26-43(31)51(32-11-3-2-4-12-32)36-21-25-42-39-15-7-10-18-46(39)54-49(42)30-36)50(34-19-23-40-37-13-5-8-16-44(37)52-47(40)28-34)35-20-24-41-38-14-6-9-17-45(38)53-48(41)29-35/h2-30H,1H3
InChIKeyTXYBVJICKWRWTC-UHFFFAOYSA-N
MW696.81 g/mol
LogP14.63
Rot. Bonds6

About 1-N,4-N,4-N-tri(dibenzofuran-3-yl)-2-methyl-1-N-phenylbenzene-1,4-diamine

1-N,4-N,4-N-tri(dibenzofuran-3-yl)-2-methyl-1-N-phenylbenzene-1,4-diamine (PubChem CID 134471596) has the molecular formula C49H32N2O3 and a molecular weight of 696.81 g/mol. Its IUPAC name is 1-N,4-N,4-N-tri(dibenzofuran-3-yl)-2-methyl-1-N-phenylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N,4-N,4-N-tri(dibenzofuran-3-yl)-2-methyl-1-N-phenylbenzene-1,4-diamine
PubChem CID134471596
Molecular FormulaC49H32N2O3
Molecular Weight696.81 g/mol
Exact Mass696.24
IUPAC Name1-N,4-N,4-N-tri(dibenzofuran-3-yl)-2-methyl-1-N-phenylbenzene-1,4-diamine
SMILESCc1cc(N(c2ccc3c(c2)oc2ccccc23)c2ccc3c(c2)oc2ccccc23)ccc1N(c1ccccc1)c1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C49H32N2O3/c1-31-27-33(22-26-43(31)51(32-11-3-2-4-12-32)36-21-25-42-39-15-7-10-18-46(39)54-49(42)30-36)50(34-19-23-40-37-13-5-8-16-44(37)52-47(40)28-34)35-20-24-41-38-14-6-9-17-45(38)53-48(41)29-35/h2-30H,1H3
InChIKeyTXYBVJICKWRWTC-UHFFFAOYSA-N
XLogP14.63
TPSA45.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500696.81
LogP ≤ 514.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-N,4-N,4-N-tri(dibenzofuran-3-yl)-2-methyl-1-N-phenylbenzene-1,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

4-N-dibenzofuran-3-yl-2-methyl-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 134471591
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-(4-phenylphenyl)-N-[3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-3-amine
CID 118924585
2-N-dibenzofuran-3-yl-2-N,7-N-diphenyl-7-N-(4-phenylphenyl)dibenzofuran-2,7-diamine
CID 146576058

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N,4-N-tri(dibenzofuran-3-yl)-2-methyl-1-N-phenylbenzene-1,4-diamine?
The IUPAC name of 1-N,4-N,4-N-tri(dibenzofuran-3-yl)-2-methyl-1-N-phenylbenzene-1,4-diamine (CID 134471596) is 1-N,4-N,4-N-tri(dibenzofuran-3-yl)-2-methyl-1-N-phenylbenzene-1,4-diamine.
What is the SMILES notation for 1-N,4-N,4-N-tri(dibenzofuran-3-yl)-2-methyl-1-N-phenylbenzene-1,4-diamine?
The canonical SMILES for 1-N,4-N,4-N-tri(dibenzofuran-3-yl)-2-methyl-1-N-phenylbenzene-1,4-diamine is Cc1cc(N(c2ccc3c(c2)oc2ccccc23)c2ccc3c(c2)oc2ccccc23)ccc1N(c1ccccc1)c1ccc2c(c1)oc1ccccc12.
What is the InChIKey of 1-N,4-N,4-N-tri(dibenzofuran-3-yl)-2-methyl-1-N-phenylbenzene-1,4-diamine?
The InChIKey is TXYBVJICKWRWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32N2O3/c1-31-27-33(22-26-43(31)51(32-11-3-2-4-12-32)36-21-25-42-39-15-7-10-18-46(39)54-49(42)30-36)50(34-19-23-40-37-13-5-8-16-44(37)52-47(40)28-34)35-20-24-41-38-14-6-9-17-45(38)53-48(41)29-35/h2-30H,1H3.
What are the key properties of 1-N,4-N,4-N-tri(dibenzofuran-3-yl)-2-methyl-1-N-phenylbenzene-1,4-diamine?
1-N,4-N,4-N-tri(dibenzofuran-3-yl)-2-methyl-1-N-phenylbenzene-1,4-diamine has a molecular weight of 696.81 g/mol, XLogP of 14.63, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N,4-N-tri(dibenzofuran-3-yl)-2-methyl-1-N-phenylbenzene-1,4-diamine is sourced from PubChem (CID 134471596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).