4-N-dibenzofuran-2-yl-1-N-dibenzothiophen-2-yl-2-methyl-1-N,4-N-dinaphthalen-2-ylbenzene-1,4-diamine

C51H34N2OS — CID 134471600

IUPAC4-N-dibenzofuran-2-yl-1-N-dibenzothiophen-2-yl-2-methyl-1-N,4-N-dinaphthalen-2-ylbenzene-1,4-diamine
SMILESCc1cc(N(c2ccc3ccccc3c2)c2ccc3oc4ccccc4c3c2)ccc1N(c1ccc2ccccc2c1)c1ccc2sc3ccccc3c2c1
InChIInChI=1S/C51H34N2OS/c1-33-28-38(52(39-20-18-34-10-2-4-12-36(34)29-39)41-23-26-49-45(31-41)43-14-6-8-16-48(43)54-49)22-25-47(33)53(40-21-19-35-11-3-5-13-37(35)30-40)42-24-27-51-46(32-42)44-15-7-9-17-50(44)55-51/h2-32H,1H3
InChIKeyULNVTAJWZYZLKJ-UHFFFAOYSA-N
MW722.91 g/mol
LogP15.51
Rot. Bonds6

About 4-N-dibenzofuran-2-yl-1-N-dibenzothiophen-2-yl-2-methyl-1-N,4-N-dinaphthalen-2-ylbenzene-1,4-diamine

4-N-dibenzofuran-2-yl-1-N-dibenzothiophen-2-yl-2-methyl-1-N,4-N-dinaphthalen-2-ylbenzene-1,4-diamine (PubChem CID 134471600) has the molecular formula C51H34N2OS and a molecular weight of 722.91 g/mol. Its IUPAC name is 4-N-dibenzofuran-2-yl-1-N-dibenzothiophen-2-yl-2-methyl-1-N,4-N-dinaphthalen-2-ylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-dibenzofuran-2-yl-1-N-dibenzothiophen-2-yl-2-methyl-1-N,4-N-dinaphthalen-2-ylbenzene-1,4-diamine
PubChem CID134471600
Molecular FormulaC51H34N2OS
Molecular Weight722.91 g/mol
Exact Mass722.24
IUPAC Name4-N-dibenzofuran-2-yl-1-N-dibenzothiophen-2-yl-2-methyl-1-N,4-N-dinaphthalen-2-ylbenzene-1,4-diamine
SMILESCc1cc(N(c2ccc3ccccc3c2)c2ccc3oc4ccccc4c3c2)ccc1N(c1ccc2ccccc2c1)c1ccc2sc3ccccc3c2c1
InChIInChI=1S/C51H34N2OS/c1-33-28-38(52(39-20-18-34-10-2-4-12-36(34)29-39)41-23-26-49-45(31-41)43-14-6-8-16-48(43)54-49)22-25-47(33)53(40-21-19-35-11-3-5-13-37(35)30-40)42-24-27-51-46(32-42)44-15-7-9-17-50(44)55-51/h2-32H,1H3
InChIKeyULNVTAJWZYZLKJ-UHFFFAOYSA-N
XLogP15.51
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500722.91
LogP ≤ 515.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-N-dibenzofuran-2-yl-1-N-dibenzothiophen-2-yl-2-methyl-1-N,4-N-dinaphthalen-2-ylbenzene-1,4-diamine with MolForge

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Related Compounds

N-dibenzothiophen-3-yl-N-naphtho[2,1-b][1]benzothiol-3-yldibenzofuran-2-amine
CID 170040034
N-naphtho[2,3-b][1]benzothiol-2-yl-N-phenyldibenzofuran-2-amine
CID 164799718
3-N-dibenzofuran-2-yl-3-N-[3-(N-dibenzothiophen-2-ylanilino)phenyl]-1-N,1-N-diphenylbenzene-1,3-diamine
CID 134198268
N-dibenzofuran-2-yl-N-naphtho[2,1-b][1]benzothiol-2-yldibenzofuran-2-amine
CID 170039344
N-chrysen-3-yl-N-dibenzothiophen-2-yldibenzofuran-3-amine
CID 170137144
8-N,8-N-dinaphthalen-2-yl-2-N-naphtho[2,1-b][1]benzofuran-10-yl-2-N-phenyldibenzothiophene-2,8-diamine
CID 170044237
bis(4-dibenzofuran-2-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-phenylaniline);N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-3,5-diphenylaniline;N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)naphthalen-1-amine;N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)naphthalen-2-amine;N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-4-phenylaniline
CID 158888724
7-N-dibenzothiophen-1-yl-7-N-naphthalen-2-yl-2-N,2-N-diphenyldibenzofuran-2,7-diamine
CID 155172930
2-N-dibenzofuran-2-yl-2-N-dibenzothiophen-2-yl-7-N,7-N-diphenyldibenzothiophene-2,7-diamine;2-N-dibenzofuran-3-yl-2-N-(4-methylphenyl)-7-N,7-N-diphenyldibenzothiophene-2,7-diamine;2-N-dibenzothiophen-3-yl-2-N-(3-methylphenyl)-7-N,7-N-diphenyldibenzothiophene-2,7-diamine;2-N-dibenzothiophen-2-yl-2-N-phenanthren-2-yl-7-N,7-N-diphenyldibenzothiophene-2,7-diamine
CID 159492093
3-N-dibenzothiophen-2-yl-7-N-(2,4-dimethylphenyl)-3-N-methyl-7-N-(7-methyldibenzofuran-3-yl)dibenzofuran-3,7-diamine
CID 23593302
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
3-N-dibenzofuran-2-yl-10-N-dibenzothiophen-3-yl-4-methyl-3-N,10-N-diphenylphenanthrene-3,10-diamine
CID 170284022

Frequently Asked Questions

What is the IUPAC name of 4-N-dibenzofuran-2-yl-1-N-dibenzothiophen-2-yl-2-methyl-1-N,4-N-dinaphthalen-2-ylbenzene-1,4-diamine?
The IUPAC name of 4-N-dibenzofuran-2-yl-1-N-dibenzothiophen-2-yl-2-methyl-1-N,4-N-dinaphthalen-2-ylbenzene-1,4-diamine (CID 134471600) is 4-N-dibenzofuran-2-yl-1-N-dibenzothiophen-2-yl-2-methyl-1-N,4-N-dinaphthalen-2-ylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-dibenzofuran-2-yl-1-N-dibenzothiophen-2-yl-2-methyl-1-N,4-N-dinaphthalen-2-ylbenzene-1,4-diamine?
The canonical SMILES for 4-N-dibenzofuran-2-yl-1-N-dibenzothiophen-2-yl-2-methyl-1-N,4-N-dinaphthalen-2-ylbenzene-1,4-diamine is Cc1cc(N(c2ccc3ccccc3c2)c2ccc3oc4ccccc4c3c2)ccc1N(c1ccc2ccccc2c1)c1ccc2sc3ccccc3c2c1.
What is the InChIKey of 4-N-dibenzofuran-2-yl-1-N-dibenzothiophen-2-yl-2-methyl-1-N,4-N-dinaphthalen-2-ylbenzene-1,4-diamine?
The InChIKey is ULNVTAJWZYZLKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N2OS/c1-33-28-38(52(39-20-18-34-10-2-4-12-36(34)29-39)41-23-26-49-45(31-41)43-14-6-8-16-48(43)54-49)22-25-47(33)53(40-21-19-35-11-3-5-13-37(35)30-40)42-24-27-51-46(32-42)44-15-7-9-17-50(44)55-51/h2-32H,1H3.
What are the key properties of 4-N-dibenzofuran-2-yl-1-N-dibenzothiophen-2-yl-2-methyl-1-N,4-N-dinaphthalen-2-ylbenzene-1,4-diamine?
4-N-dibenzofuran-2-yl-1-N-dibenzothiophen-2-yl-2-methyl-1-N,4-N-dinaphthalen-2-ylbenzene-1,4-diamine has a molecular weight of 722.91 g/mol, XLogP of 15.51, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-dibenzofuran-2-yl-1-N-dibenzothiophen-2-yl-2-methyl-1-N,4-N-dinaphthalen-2-ylbenzene-1,4-diamine is sourced from PubChem (CID 134471600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).