3-N-dibenzofuran-4-yl-1-N,3-N-diphenyl-1-N-[4-(3-tricyclo[3.3.1.11,3]decanyl)phenyl]benzene-1,3-diamine

C46H40N2O — CID 155421569

IUPAC3-N-dibenzofuran-4-yl-1-N,3-N-diphenyl-1-N-[4-(3-tricyclo[3.3.1.11,3]decanyl)phenyl]benzene-1,3-diamine
SMILESc1ccc(N(c2ccc(C34CC5CCCC(C5)(C3)C4)cc2)c2cccc(N(c3ccccc3)c3cccc4c3oc3ccccc34)c2)cc1
InChIInChI=1S/C46H40N2O/c1-3-13-35(14-4-1)47(37-25-23-34(24-26-37)46-30-33-12-11-27-45(29-33,31-46)32-46)38-17-9-18-39(28-38)48(36-15-5-2-6-16-36)42-21-10-20-41-40-19-7-8-22-43(40)49-44(41)42/h1-10,13-26,28,33H,11-12,27,29-32H2
InChIKeyMIOOCZSKDNZNQT-UHFFFAOYSA-N
MW636.84 g/mol
LogP13.14
Rot. Bonds7

About 3-N-dibenzofuran-4-yl-1-N,3-N-diphenyl-1-N-[4-(3-tricyclo[3.3.1.11,3]decanyl)phenyl]benzene-1,3-diamine

3-N-dibenzofuran-4-yl-1-N,3-N-diphenyl-1-N-[4-(3-tricyclo[3.3.1.11,3]decanyl)phenyl]benzene-1,3-diamine (PubChem CID 155421569) has the molecular formula C46H40N2O and a molecular weight of 636.84 g/mol. Its IUPAC name is 3-N-dibenzofuran-4-yl-1-N,3-N-diphenyl-1-N-[4-(3-tricyclo[3.3.1.11,3]decanyl)phenyl]benzene-1,3-diamine.

Molecular Properties

Compound Name3-N-dibenzofuran-4-yl-1-N,3-N-diphenyl-1-N-[4-(3-tricyclo[3.3.1.11,3]decanyl)phenyl]benzene-1,3-diamine
PubChem CID155421569
Molecular FormulaC46H40N2O
Molecular Weight636.84 g/mol
Exact Mass636.31
IUPAC Name3-N-dibenzofuran-4-yl-1-N,3-N-diphenyl-1-N-[4-(3-tricyclo[3.3.1.11,3]decanyl)phenyl]benzene-1,3-diamine
SMILESc1ccc(N(c2ccc(C34CC5CCCC(C5)(C3)C4)cc2)c2cccc(N(c3ccccc3)c3cccc4c3oc3ccccc34)c2)cc1
InChIInChI=1S/C46H40N2O/c1-3-13-35(14-4-1)47(37-25-23-34(24-26-37)46-30-33-12-11-27-45(29-33,31-46)32-46)38-17-9-18-39(28-38)48(36-15-5-2-6-16-36)42-21-10-20-41-40-19-7-8-22-43(40)49-44(41)42/h1-10,13-26,28,33H,11-12,27,29-32H2
InChIKeyMIOOCZSKDNZNQT-UHFFFAOYSA-N
XLogP13.14
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.84
LogP ≤ 513.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-N-dibenzofuran-4-yl-1-N,3-N-diphenyl-1-N-[4-(3-tricyclo[3.3.1.11,3]decanyl)phenyl]benzene-1,3-diamine with MolForge

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Related Compounds

6-N-[4-(1-adamantyl)phenyl]-2-N,2-N,6-N-triphenyldibenzofuran-2,6-diamine
CID 164768089
6-N-dibenzofuran-2-yl-2-N,2-N,6-N-triphenyldibenzofuran-2,6-diamine
CID 167208512
1-N-[4-(1-adamantyl)phenyl]-1-N,6-N-diphenyl-6-N-(4-phenylphenyl)dibenzofuran-1,6-diamine
CID 164768042
1-N-[4-(1-adamantyl)phenyl]-3-N-dibenzofuran-3-yl-3-N-phenyl-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 155421754
6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-diphenyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine
CID 162475564
N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-4-amine
CID 71126595
N,N-diphenyldibenzofuran-4-amine;ethane
CID 158587957
N-dibenzofuran-4-yl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]dibenzofuran-4-amine
CID 71126744
N-[4-[4-(1-adamantyl)phenyl]phenyl]-3-dibenzofuran-4-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 169028672
N-[3-[4-[3-(N-dibenzofuran-4-ylanilino)phenyl]phenyl]phenyl]-N-phenyldibenzofuran-4-amine
CID 71126918
2-N,7-N-di(dibenzofuran-4-yl)-2-N,7-N-diphenylpyrene-2,7-diamine
CID 123387446
3-N-dibenzofuran-4-yl-3-N-(4-dibenzofuran-2-ylphenyl)-1-N,1-N,5-N,5-N-tetraphenylbenzene-1,3,5-triamine
CID 139393694

Frequently Asked Questions

What is the IUPAC name of 3-N-dibenzofuran-4-yl-1-N,3-N-diphenyl-1-N-[4-(3-tricyclo[3.3.1.11,3]decanyl)phenyl]benzene-1,3-diamine?
The IUPAC name of 3-N-dibenzofuran-4-yl-1-N,3-N-diphenyl-1-N-[4-(3-tricyclo[3.3.1.11,3]decanyl)phenyl]benzene-1,3-diamine (CID 155421569) is 3-N-dibenzofuran-4-yl-1-N,3-N-diphenyl-1-N-[4-(3-tricyclo[3.3.1.11,3]decanyl)phenyl]benzene-1,3-diamine.
What is the SMILES notation for 3-N-dibenzofuran-4-yl-1-N,3-N-diphenyl-1-N-[4-(3-tricyclo[3.3.1.11,3]decanyl)phenyl]benzene-1,3-diamine?
The canonical SMILES for 3-N-dibenzofuran-4-yl-1-N,3-N-diphenyl-1-N-[4-(3-tricyclo[3.3.1.11,3]decanyl)phenyl]benzene-1,3-diamine is c1ccc(N(c2ccc(C34CC5CCCC(C5)(C3)C4)cc2)c2cccc(N(c3ccccc3)c3cccc4c3oc3ccccc34)c2)cc1.
What is the InChIKey of 3-N-dibenzofuran-4-yl-1-N,3-N-diphenyl-1-N-[4-(3-tricyclo[3.3.1.11,3]decanyl)phenyl]benzene-1,3-diamine?
The InChIKey is MIOOCZSKDNZNQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H40N2O/c1-3-13-35(14-4-1)47(37-25-23-34(24-26-37)46-30-33-12-11-27-45(29-33,31-46)32-46)38-17-9-18-39(28-38)48(36-15-5-2-6-16-36)42-21-10-20-41-40-19-7-8-22-43(40)49-44(41)42/h1-10,13-26,28,33H,11-12,27,29-32H2.
What are the key properties of 3-N-dibenzofuran-4-yl-1-N,3-N-diphenyl-1-N-[4-(3-tricyclo[3.3.1.11,3]decanyl)phenyl]benzene-1,3-diamine?
3-N-dibenzofuran-4-yl-1-N,3-N-diphenyl-1-N-[4-(3-tricyclo[3.3.1.11,3]decanyl)phenyl]benzene-1,3-diamine has a molecular weight of 636.84 g/mol, XLogP of 13.14, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-dibenzofuran-4-yl-1-N,3-N-diphenyl-1-N-[4-(3-tricyclo[3.3.1.11,3]decanyl)phenyl]benzene-1,3-diamine is sourced from PubChem (CID 155421569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).