N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]-N-phenyldibenzofuran-4-amine

C40H25NO2 — CID 122493254

IUPACN-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]-N-phenyldibenzofuran-4-amine
SMILESc1ccc(N(c2ccc(-c3ccc4c5c(cccc35)-c3ccccc3O4)cc2)c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C40H25NO2/c1-2-10-27(11-3-1)41(35-17-9-16-34-31-13-5-7-19-37(31)43-40(34)35)28-22-20-26(21-23-28)29-24-25-38-39-32(29)14-8-15-33(39)30-12-4-6-18-36(30)42-38/h1-25H
InChIKeyPUTHXFNAROLXIN-UHFFFAOYSA-N
MW551.65 g/mol
LogP11.65
Rot. Bonds4

About N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]-N-phenyldibenzofuran-4-amine

N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]-N-phenyldibenzofuran-4-amine (PubChem CID 122493254) has the molecular formula C40H25NO2 and a molecular weight of 551.65 g/mol. Its IUPAC name is N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]-N-phenyldibenzofuran-4-amine.

Molecular Properties

Compound NameN-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]-N-phenyldibenzofuran-4-amine
PubChem CID122493254
Molecular FormulaC40H25NO2
Molecular Weight551.65 g/mol
Exact Mass551.19
IUPAC NameN-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]-N-phenyldibenzofuran-4-amine
SMILESc1ccc(N(c2ccc(-c3ccc4c5c(cccc35)-c3ccccc3O4)cc2)c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C40H25NO2/c1-2-10-27(11-3-1)41(35-17-9-16-34-31-13-5-7-19-37(31)43-40(34)35)28-22-20-26(21-23-28)29-24-25-38-39-32(29)14-8-15-33(39)30-12-4-6-18-36(30)42-38/h1-25H
InChIKeyPUTHXFNAROLXIN-UHFFFAOYSA-N
XLogP11.65
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.65
LogP ≤ 511.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]-N-phenyldibenzofuran-4-amine with MolForge

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Related Compounds

5-N-dibenzofuran-4-yl-5-N,14-N,14-N-triphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene-5,14-diamine
CID 122473491
N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 122493236
N-[4-(2-phenylphenyl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 164744348
4-N,12-N-bis(4-dibenzofuran-4-ylphenyl)-4-N,12-N-diphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene-4,12-diamine
CID 168855820
12-N-dibenzofuran-4-yl-6-N,6-N-diphenyl-12-N-(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene-6,12-diamine
CID 168855706
N-dibenzofuran-4-yl-17-[4-(N-dibenzofuran-4-ylanilino)phenyl]-N-phenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-4-amine
CID 118149018
12-N-(4-dibenzofuran-4-ylphenyl)-3-N,3-N-diphenyl-12-N-[4-(4-phenylphenyl)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene-3,12-diamine
CID 168855917
N-[3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]-2-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 174303345
N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]-N,4-diphenylaniline
CID 122493194
12-N,12-N-bis(4-dibenzofuran-4-ylphenyl)-6-N,6-N-diphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene-6,12-diamine
CID 168855974
N-phenyl-N-[6-[4-(N-(2-phenylphenyl)anilino)phenyl]pyren-1-yl]dibenzofuran-4-amine
CID 118012296
5-[4-(N-dibenzofuran-4-ylanilino)phenyl]-N-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-14-amine
CID 122473536

Frequently Asked Questions

What is the IUPAC name of N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]-N-phenyldibenzofuran-4-amine?
The IUPAC name of N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]-N-phenyldibenzofuran-4-amine (CID 122493254) is N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]-N-phenyldibenzofuran-4-amine.
What is the SMILES notation for N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]-N-phenyldibenzofuran-4-amine?
The canonical SMILES for N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]-N-phenyldibenzofuran-4-amine is c1ccc(N(c2ccc(-c3ccc4c5c(cccc35)-c3ccccc3O4)cc2)c2cccc3c2oc2ccccc23)cc1.
What is the InChIKey of N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]-N-phenyldibenzofuran-4-amine?
The InChIKey is PUTHXFNAROLXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25NO2/c1-2-10-27(11-3-1)41(35-17-9-16-34-31-13-5-7-19-37(31)43-40(34)35)28-22-20-26(21-23-28)29-24-25-38-39-32(29)14-8-15-33(39)30-12-4-6-18-36(30)42-38/h1-25H.
What are the key properties of N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]-N-phenyldibenzofuran-4-amine?
N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]-N-phenyldibenzofuran-4-amine has a molecular weight of 551.65 g/mol, XLogP of 11.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]-N-phenyldibenzofuran-4-amine is sourced from PubChem (CID 122493254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).