7-(6-dibenzofuran-4-yldibenzofuran-1-yl)-N,N-diphenyldibenzofuran-4-amine

C48H29NO3 — CID 174244414

IUPAC7-(6-dibenzofuran-4-yldibenzofuran-1-yl)-N,N-diphenyldibenzofuran-4-amine
SMILESc1ccc(N(c2ccccc2)c2cccc3c2oc2cc(-c4cccc5oc6c(-c7cccc8c7oc7ccccc78)cccc6c45)ccc23)cc1
InChIInChI=1S/C48H29NO3/c1-3-13-31(14-4-1)49(32-15-5-2-6-16-32)41-24-11-22-37-35-28-27-30(29-44(35)52-48(37)41)33-18-12-26-43-45(33)40-23-10-21-39(47(40)51-43)38-20-9-19-36-34-17-7-8-25-42(34)50-46(36)38/h1-29H
InChIKeyMSEMPASMGDTERH-UHFFFAOYSA-N
MW667.76 g/mol
LogP14.19
Rot. Bonds5

About 7-(6-dibenzofuran-4-yldibenzofuran-1-yl)-N,N-diphenyldibenzofuran-4-amine

7-(6-dibenzofuran-4-yldibenzofuran-1-yl)-N,N-diphenyldibenzofuran-4-amine (PubChem CID 174244414) has the molecular formula C48H29NO3 and a molecular weight of 667.76 g/mol. Its IUPAC name is 7-(6-dibenzofuran-4-yldibenzofuran-1-yl)-N,N-diphenyldibenzofuran-4-amine.

Molecular Properties

Compound Name7-(6-dibenzofuran-4-yldibenzofuran-1-yl)-N,N-diphenyldibenzofuran-4-amine
PubChem CID174244414
Molecular FormulaC48H29NO3
Molecular Weight667.76 g/mol
Exact Mass667.21
IUPAC Name7-(6-dibenzofuran-4-yldibenzofuran-1-yl)-N,N-diphenyldibenzofuran-4-amine
SMILESc1ccc(N(c2ccccc2)c2cccc3c2oc2cc(-c4cccc5oc6c(-c7cccc8c7oc7ccccc78)cccc6c45)ccc23)cc1
InChIInChI=1S/C48H29NO3/c1-3-13-31(14-4-1)49(32-15-5-2-6-16-32)41-24-11-22-37-35-28-27-30(29-44(35)52-48(37)41)33-18-12-26-43-45(33)40-23-10-21-39(47(40)51-43)38-20-9-19-36-34-17-7-8-25-42(34)50-46(36)38/h1-29H
InChIKeyMSEMPASMGDTERH-UHFFFAOYSA-N
XLogP14.19
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.76
LogP ≤ 514.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-(7-dibenzofuran-3-yldibenzofuran-1-yl)-N,N-diphenyldibenzofuran-4-amine
CID 174244517
7-(7-dibenzofuran-3-yldibenzofuran-3-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 174244796
1-dibenzofuran-2-yl-N,N-bis(4-phenylphenyl)dibenzofuran-4-amine;1-dibenzofuran-3-yl-N,N-bis(4-phenylphenyl)dibenzofuran-4-amine;1-dibenzofuran-4-yl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 160558058
N-dibenzofuran-4-yl-N-(4-dibenzofuran-3-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167397570
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-dibenzofuran-3-yl-N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-6-phenyldibenzofuran-4-amine
CID 167397866
N-dibenzofuran-3-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 121241788
N-[4-(2-phenylphenyl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 164744348
N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-4-amine
CID 71126595
N-dibenzofuran-4-yl-N-(4-dibenzofuran-1-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167397006
N-phenyl-N-[4-(5-phenylnaphtho[2,1-b][1]benzofuran-9-yl)phenyl]dibenzofuran-4-amine
CID 176808337
N,17-diphenyl-N-(4-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-8-amine
CID 171050051

Frequently Asked Questions

What is the IUPAC name of 7-(6-dibenzofuran-4-yldibenzofuran-1-yl)-N,N-diphenyldibenzofuran-4-amine?
The IUPAC name of 7-(6-dibenzofuran-4-yldibenzofuran-1-yl)-N,N-diphenyldibenzofuran-4-amine (CID 174244414) is 7-(6-dibenzofuran-4-yldibenzofuran-1-yl)-N,N-diphenyldibenzofuran-4-amine.
What is the SMILES notation for 7-(6-dibenzofuran-4-yldibenzofuran-1-yl)-N,N-diphenyldibenzofuran-4-amine?
The canonical SMILES for 7-(6-dibenzofuran-4-yldibenzofuran-1-yl)-N,N-diphenyldibenzofuran-4-amine is c1ccc(N(c2ccccc2)c2cccc3c2oc2cc(-c4cccc5oc6c(-c7cccc8c7oc7ccccc78)cccc6c45)ccc23)cc1.
What is the InChIKey of 7-(6-dibenzofuran-4-yldibenzofuran-1-yl)-N,N-diphenyldibenzofuran-4-amine?
The InChIKey is MSEMPASMGDTERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29NO3/c1-3-13-31(14-4-1)49(32-15-5-2-6-16-32)41-24-11-22-37-35-28-27-30(29-44(35)52-48(37)41)33-18-12-26-43-45(33)40-23-10-21-39(47(40)51-43)38-20-9-19-36-34-17-7-8-25-42(34)50-46(36)38/h1-29H.
What are the key properties of 7-(6-dibenzofuran-4-yldibenzofuran-1-yl)-N,N-diphenyldibenzofuran-4-amine?
7-(6-dibenzofuran-4-yldibenzofuran-1-yl)-N,N-diphenyldibenzofuran-4-amine has a molecular weight of 667.76 g/mol, XLogP of 14.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6-dibenzofuran-4-yldibenzofuran-1-yl)-N,N-diphenyldibenzofuran-4-amine is sourced from PubChem (CID 174244414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).