9-(7-dibenzofuran-3-yldibenzofuran-1-yl)-N,N-diphenyldibenzofuran-4-amine

C48H29NO3 — CID 174244517

IUPAC9-(7-dibenzofuran-3-yldibenzofuran-1-yl)-N,N-diphenyldibenzofuran-4-amine
SMILESc1ccc(N(c2ccccc2)c2cccc3c2oc2cccc(-c4cccc5oc6cc(-c7ccc8c(c7)oc7ccccc78)ccc6c45)c23)cc1
InChIInChI=1S/C48H29NO3/c1-3-12-32(13-4-1)49(33-14-5-2-6-15-33)40-20-9-19-39-47-37(18-11-23-43(47)52-48(39)40)36-17-10-22-42-46(36)38-27-25-31(29-45(38)51-42)30-24-26-35-34-16-7-8-21-41(34)50-44(35)28-30/h1-29H
InChIKeyJSLCZVZCIQATHW-UHFFFAOYSA-N
MW667.76 g/mol
LogP14.19
Rot. Bonds5

About 9-(7-dibenzofuran-3-yldibenzofuran-1-yl)-N,N-diphenyldibenzofuran-4-amine

9-(7-dibenzofuran-3-yldibenzofuran-1-yl)-N,N-diphenyldibenzofuran-4-amine (PubChem CID 174244517) has the molecular formula C48H29NO3 and a molecular weight of 667.76 g/mol. Its IUPAC name is 9-(7-dibenzofuran-3-yldibenzofuran-1-yl)-N,N-diphenyldibenzofuran-4-amine.

Molecular Properties

Compound Name9-(7-dibenzofuran-3-yldibenzofuran-1-yl)-N,N-diphenyldibenzofuran-4-amine
PubChem CID174244517
Molecular FormulaC48H29NO3
Molecular Weight667.76 g/mol
Exact Mass667.21
IUPAC Name9-(7-dibenzofuran-3-yldibenzofuran-1-yl)-N,N-diphenyldibenzofuran-4-amine
SMILESc1ccc(N(c2ccccc2)c2cccc3c2oc2cccc(-c4cccc5oc6cc(-c7ccc8c(c7)oc7ccccc78)ccc6c45)c23)cc1
InChIInChI=1S/C48H29NO3/c1-3-12-32(13-4-1)49(33-14-5-2-6-15-33)40-20-9-19-39-47-37(18-11-23-43(47)52-48(39)40)36-17-10-22-42-46(36)38-27-25-31(29-45(38)51-42)30-24-26-35-34-16-7-8-21-41(34)50-44(35)28-30/h1-29H
InChIKeyJSLCZVZCIQATHW-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

7-(6-dibenzofuran-4-yldibenzofuran-1-yl)-N,N-diphenyldibenzofuran-4-amine
CID 174244414
7-(7-dibenzofuran-3-yldibenzofuran-3-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 174244796
N-phenyl-N-[4-(5-phenylnaphtho[2,1-b][1]benzofuran-9-yl)phenyl]dibenzofuran-4-amine
CID 176808337
N-[4-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-4-amine
CID 174321866
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
N-dibenzofuran-4-yl-N-(4-dibenzofuran-3-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167397570
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
17-phenyl-N,N-bis(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 171050177
N-phenyl-N-[4-[5-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-yl]phenyl]dibenzofuran-1-amine
CID 167144315
N-(4-dibenzofuran-3-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-2-(8-phenylnaphthalen-1-yl)aniline
CID 170300451
N-(4-dibenzofuran-3-ylphenyl)-N-phenylnaphtho[1,2-b][1]benzofuran-10-amine
CID 168804046

Frequently Asked Questions

What is the IUPAC name of 9-(7-dibenzofuran-3-yldibenzofuran-1-yl)-N,N-diphenyldibenzofuran-4-amine?
The IUPAC name of 9-(7-dibenzofuran-3-yldibenzofuran-1-yl)-N,N-diphenyldibenzofuran-4-amine (CID 174244517) is 9-(7-dibenzofuran-3-yldibenzofuran-1-yl)-N,N-diphenyldibenzofuran-4-amine.
What is the SMILES notation for 9-(7-dibenzofuran-3-yldibenzofuran-1-yl)-N,N-diphenyldibenzofuran-4-amine?
The canonical SMILES for 9-(7-dibenzofuran-3-yldibenzofuran-1-yl)-N,N-diphenyldibenzofuran-4-amine is c1ccc(N(c2ccccc2)c2cccc3c2oc2cccc(-c4cccc5oc6cc(-c7ccc8c(c7)oc7ccccc78)ccc6c45)c23)cc1.
What is the InChIKey of 9-(7-dibenzofuran-3-yldibenzofuran-1-yl)-N,N-diphenyldibenzofuran-4-amine?
The InChIKey is JSLCZVZCIQATHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29NO3/c1-3-12-32(13-4-1)49(33-14-5-2-6-15-33)40-20-9-19-39-47-37(18-11-23-43(47)52-48(39)40)36-17-10-22-42-46(36)38-27-25-31(29-45(38)51-42)30-24-26-35-34-16-7-8-21-41(34)50-44(35)28-30/h1-29H.
What are the key properties of 9-(7-dibenzofuran-3-yldibenzofuran-1-yl)-N,N-diphenyldibenzofuran-4-amine?
9-(7-dibenzofuran-3-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 9-(7-dibenzofuran-3-yldibenzofuran-1-yl)-N,N-diphenyldibenzofuran-4-amine is sourced from PubChem (CID 174244517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).