N-dibenzothiophen-2-yl-8-(1,1-diphenylethyl)-N-phenyldibenzofuran-3-amine

C44H31NOS — CID 145407826

IUPACN-dibenzothiophen-2-yl-8-(1,1-diphenylethyl)-N-phenyldibenzofuran-3-amine
SMILESCC(c1ccccc1)(c1ccccc1)c1ccc2oc3cc(N(c4ccccc4)c4ccc5sc6ccccc6c5c4)ccc3c2c1
InChIInChI=1S/C44H31NOS/c1-44(30-13-5-2-6-14-30,31-15-7-3-8-16-31)32-21-25-40-38(27-32)36-24-22-35(29-41(36)46-40)45(33-17-9-4-10-18-33)34-23-26-43-39(28-34)37-19-11-12-20-42(37)47-43/h2-29H,1H3
InChIKeyMKZWMICTSXEEFU-UHFFFAOYSA-N
MW621.81 g/mol
LogP12.78
Rot. Bonds6

About N-dibenzothiophen-2-yl-8-(1,1-diphenylethyl)-N-phenyldibenzofuran-3-amine

N-dibenzothiophen-2-yl-8-(1,1-diphenylethyl)-N-phenyldibenzofuran-3-amine (PubChem CID 145407826) has the molecular formula C44H31NOS and a molecular weight of 621.81 g/mol. Its IUPAC name is N-dibenzothiophen-2-yl-8-(1,1-diphenylethyl)-N-phenyldibenzofuran-3-amine.

Molecular Properties

Compound NameN-dibenzothiophen-2-yl-8-(1,1-diphenylethyl)-N-phenyldibenzofuran-3-amine
PubChem CID145407826
Molecular FormulaC44H31NOS
Molecular Weight621.81 g/mol
Exact Mass621.21
IUPAC NameN-dibenzothiophen-2-yl-8-(1,1-diphenylethyl)-N-phenyldibenzofuran-3-amine
SMILESCC(c1ccccc1)(c1ccccc1)c1ccc2oc3cc(N(c4ccccc4)c4ccc5sc6ccccc6c5c4)ccc3c2c1
InChIInChI=1S/C44H31NOS/c1-44(30-13-5-2-6-14-30,31-15-7-3-8-16-31)32-21-25-40-38(27-32)36-24-22-35(29-41(36)46-40)45(33-17-9-4-10-18-33)34-23-26-43-39(28-34)37-19-11-12-20-42(37)47-43/h2-29H,1H3
InChIKeyMKZWMICTSXEEFU-UHFFFAOYSA-N
XLogP12.78
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500621.81
LogP ≤ 512.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

7-N-dibenzofuran-2-yl-19-N-dibenzothiophen-2-yl-7-N,19-N-diphenyl-10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene-7,19-diamine
CID 146694397
5-[7-[dibenzofuran-2-yl(dibenzothiophen-2-yl)amino]dibenzofuran-2-yl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
CID 146588601
3-N-dibenzofuran-2-yl-3-N-[3-(N-dibenzothiophen-2-ylanilino)phenyl]-1-N,1-N-diphenylbenzene-1,3-diamine
CID 134198268
N-[4-[4-(N-dibenzothiophen-2-ylanilino)phenyl]phenyl]-N-phenyldibenzothiophen-3-amine;N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-3-amine
CID 161374051
N-(4-dibenzofuran-2-ylphenyl)-4-phenyl-N-(4-tritylphenyl)aniline;N-(4-dibenzothiophen-2-ylphenyl)-3-phenyl-N-(4-tritylphenyl)aniline;N-(4-phenylphenyl)-N-(4-tritylphenyl)dibenzofuran-2-amine
CID 158769346
2-N-dibenzofuran-3-yl-7-N,7-N-diphenyl-2-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine
CID 146574016
N-dibenzothiophen-2-yl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 129119904
7-N-dibenzothiophen-3-yl-2-N,2-N-diphenyl-7-N-(3-phenylphenyl)dibenzofuran-2,7-diamine
CID 176781504
N-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 129085217
N-dibenzothiophen-2-yl-N-phenyl-8-[4-[2-(N-phenylanilino)phenyl]phenyl]dibenzofuran-3-amine
CID 155172831
8-N,22-N-di(dibenzofuran-2-yl)-8-N,22-N-diphenyl-11,15,19-trithiaheptacyclo[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 170235194
3-N-dibenzofuran-3-yl-1-N-dibenzothiophen-2-yl-1-N,3-N,8-N,8-N-tetraphenyldibenzothiophene-1,3,8-triamine;3-N-dibenzothiophen-2-yl-1-N-dibenzothiophen-3-yl-1-N,3-N,8-N,8-N-tetraphenyldibenzothiophene-1,3,8-triamine
CID 160969253

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-2-yl-8-(1,1-diphenylethyl)-N-phenyldibenzofuran-3-amine?
The IUPAC name of N-dibenzothiophen-2-yl-8-(1,1-diphenylethyl)-N-phenyldibenzofuran-3-amine (CID 145407826) is N-dibenzothiophen-2-yl-8-(1,1-diphenylethyl)-N-phenyldibenzofuran-3-amine.
What is the SMILES notation for N-dibenzothiophen-2-yl-8-(1,1-diphenylethyl)-N-phenyldibenzofuran-3-amine?
The canonical SMILES for N-dibenzothiophen-2-yl-8-(1,1-diphenylethyl)-N-phenyldibenzofuran-3-amine is CC(c1ccccc1)(c1ccccc1)c1ccc2oc3cc(N(c4ccccc4)c4ccc5sc6ccccc6c5c4)ccc3c2c1.
What is the InChIKey of N-dibenzothiophen-2-yl-8-(1,1-diphenylethyl)-N-phenyldibenzofuran-3-amine?
The InChIKey is MKZWMICTSXEEFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H31NOS/c1-44(30-13-5-2-6-14-30,31-15-7-3-8-16-31)32-21-25-40-38(27-32)36-24-22-35(29-41(36)46-40)45(33-17-9-4-10-18-33)34-23-26-43-39(28-34)37-19-11-12-20-42(37)47-43/h2-29H,1H3.
What are the key properties of N-dibenzothiophen-2-yl-8-(1,1-diphenylethyl)-N-phenyldibenzofuran-3-amine?
N-dibenzothiophen-2-yl-8-(1,1-diphenylethyl)-N-phenyldibenzofuran-3-amine has a molecular weight of 621.81 g/mol, XLogP of 12.78, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-2-yl-8-(1,1-diphenylethyl)-N-phenyldibenzofuran-3-amine is sourced from PubChem (CID 145407826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).