1-N,3-N-bis(1-benzofuran-3-yl)-5-tert-butyl-1-N,3-N-diphenylbenzene-1,3-diamine

C38H32N2O2 — CID 146642264

IUPAC1-N,3-N-bis(1-benzofuran-3-yl)-5-tert-butyl-1-N,3-N-diphenylbenzene-1,3-diamine
SMILESCC(C)(C)c1cc(N(c2ccccc2)c2coc3ccccc23)cc(N(c2ccccc2)c2coc3ccccc23)c1
InChIInChI=1S/C38H32N2O2/c1-38(2,3)27-22-30(39(28-14-6-4-7-15-28)34-25-41-36-20-12-10-18-32(34)36)24-31(23-27)40(29-16-8-5-9-17-29)35-26-42-37-21-13-11-19-33(35)37/h4-26H,1-3H3
InChIKeyRWOOELGKTSRHCW-UHFFFAOYSA-N
MW548.69 g/mol
LogP11.42
Rot. Bonds6

About 1-N,3-N-bis(1-benzofuran-3-yl)-5-tert-butyl-1-N,3-N-diphenylbenzene-1,3-diamine

1-N,3-N-bis(1-benzofuran-3-yl)-5-tert-butyl-1-N,3-N-diphenylbenzene-1,3-diamine (PubChem CID 146642264) has the molecular formula C38H32N2O2 and a molecular weight of 548.69 g/mol. Its IUPAC name is 1-N,3-N-bis(1-benzofuran-3-yl)-5-tert-butyl-1-N,3-N-diphenylbenzene-1,3-diamine.

Molecular Properties

Compound Name1-N,3-N-bis(1-benzofuran-3-yl)-5-tert-butyl-1-N,3-N-diphenylbenzene-1,3-diamine
PubChem CID146642264
Molecular FormulaC38H32N2O2
Molecular Weight548.69 g/mol
Exact Mass548.25
IUPAC Name1-N,3-N-bis(1-benzofuran-3-yl)-5-tert-butyl-1-N,3-N-diphenylbenzene-1,3-diamine
SMILESCC(C)(C)c1cc(N(c2ccccc2)c2coc3ccccc23)cc(N(c2ccccc2)c2coc3ccccc23)c1
InChIInChI=1S/C38H32N2O2/c1-38(2,3)27-22-30(39(28-14-6-4-7-15-28)34-25-41-36-20-12-10-18-32(34)36)24-31(23-27)40(29-16-8-5-9-17-29)35-26-42-37-21-13-11-19-33(35)37/h4-26H,1-3H3
InChIKeyRWOOELGKTSRHCW-UHFFFAOYSA-N
XLogP11.42
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.69
LogP ≤ 511.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[1-[3-[dibenzofuran-4-yl(methyl)amino]-4-fluorophenyl]-2-methylpropan-2-yl]phenyl]-N-methyldibenzofuran-4-amine
CID 134528627
11,17-Bis(4-tert-butylphenyl)-14-(trifluoromethoxy)-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4,6,8,12,14,16(27),18(26),19,21,23-undecaene
CID 146729783
3-N-(4-tert-butylphenyl)-3-N-(1,11-dimethyl-5-oxatetracyclo[9.2.2.02,10.04,8]pentadeca-2(10),3,6,8-tetraen-7-yl)-1-N,1-N-bis[4-(2-fluorophenyl)phenyl]-5-methylbenzene-1,3-diamine
CID 156431717
11,17-Bis(4-tert-butylphenyl)-14-(9,9-dimethylacridin-10-yl)-6,22-difluoro-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4(9),5,7,12,14,16(27),18(26),19(24),20,22-undecaene
CID 158005554
5,23-Ditert-butyl-11,17-bis(4-tert-butylphenyl)-14-(trifluoromethoxy)-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4(9),5,7,12,14,16(27),18(26),19(24),20,22-undecaene
CID 159161040
1-N,3-N-bis(1-benzofuran-3-yl)-2-bromo-1-N,3-N-bis(4-tert-butylphenyl)-5-(trifluoromethoxy)benzene-1,3-diamine
CID 159575896
21-tert-butyl-11-(4-tert-butylphenyl)-17-(4-tert-butyl-2-phenylphenyl)-6-fluoro-N,N-diphenyl-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4(9),5,7,12(27),13,15,18(26),19(24),20,22-undecaen-14-amine
CID 168096258
N-(3-fluorophenyl)-N-phenyl-1-benzofuran-3-amine
CID 170203703
6-N-(3a,7a-dihydro-1-benzofuran-3-yl)-1-N,1-N,6-N-tris(1-benzofuran-3-yl)-3,8-difluoropyrene-1,6-diamine
CID 176881219
N-(1-benzofuran-3-yl)-N-(6-fluoropyren-1-yl)-1-benzofuran-3-amine
CID 176881447
1-N,3-N-di(dibenzofuran-3-yl)-5-fluoro-1-N,3-N-diphenylbenzene-1,3-diamine
CID 168424861
N-(1-benzofuran-3-yl)-1-benzofuran-3-amine
CID 53410322

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-bis(1-benzofuran-3-yl)-5-tert-butyl-1-N,3-N-diphenylbenzene-1,3-diamine?
The IUPAC name of 1-N,3-N-bis(1-benzofuran-3-yl)-5-tert-butyl-1-N,3-N-diphenylbenzene-1,3-diamine (CID 146642264) is 1-N,3-N-bis(1-benzofuran-3-yl)-5-tert-butyl-1-N,3-N-diphenylbenzene-1,3-diamine.
What is the SMILES notation for 1-N,3-N-bis(1-benzofuran-3-yl)-5-tert-butyl-1-N,3-N-diphenylbenzene-1,3-diamine?
The canonical SMILES for 1-N,3-N-bis(1-benzofuran-3-yl)-5-tert-butyl-1-N,3-N-diphenylbenzene-1,3-diamine is CC(C)(C)c1cc(N(c2ccccc2)c2coc3ccccc23)cc(N(c2ccccc2)c2coc3ccccc23)c1.
What is the InChIKey of 1-N,3-N-bis(1-benzofuran-3-yl)-5-tert-butyl-1-N,3-N-diphenylbenzene-1,3-diamine?
The InChIKey is RWOOELGKTSRHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H32N2O2/c1-38(2,3)27-22-30(39(28-14-6-4-7-15-28)34-25-41-36-20-12-10-18-32(34)36)24-31(23-27)40(29-16-8-5-9-17-29)35-26-42-37-21-13-11-19-33(35)37/h4-26H,1-3H3.
What are the key properties of 1-N,3-N-bis(1-benzofuran-3-yl)-5-tert-butyl-1-N,3-N-diphenylbenzene-1,3-diamine?
1-N,3-N-bis(1-benzofuran-3-yl)-5-tert-butyl-1-N,3-N-diphenylbenzene-1,3-diamine has a molecular weight of 548.69 g/mol, XLogP of 11.42, 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-bis(1-benzofuran-3-yl)-5-tert-butyl-1-N,3-N-diphenylbenzene-1,3-diamine is sourced from PubChem (CID 146642264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).