9-(8-dibenzofuran-4-yldibenzofuran-1-yl)-N,N-diphenyldibenzofuran-2-amine

C48H29NO3 — CID 174244522

IUPAC9-(8-dibenzofuran-4-yldibenzofuran-1-yl)-N,N-diphenyldibenzofuran-2-amine
SMILESc1ccc(N(c2ccccc2)c2ccc3oc4cccc(-c5cccc6oc7ccc(-c8cccc9c8oc8ccccc89)cc7c56)c4c3c2)cc1
InChIInChI=1S/C48H29NO3/c1-3-12-31(13-4-1)49(32-14-5-2-6-15-32)33-25-27-43-40(29-33)47-37(19-11-23-45(47)51-43)36-18-10-22-44-46(36)39-28-30(24-26-42(39)50-44)34-17-9-20-38-35-16-7-8-21-41(35)52-48(34)38/h1-29H
InChIKeyXDCKKYQSMDDJLM-UHFFFAOYSA-N
MW667.76 g/mol
LogP14.19
Rot. Bonds5

About 9-(8-dibenzofuran-4-yldibenzofuran-1-yl)-N,N-diphenyldibenzofuran-2-amine

9-(8-dibenzofuran-4-yldibenzofuran-1-yl)-N,N-diphenyldibenzofuran-2-amine (PubChem CID 174244522) has the molecular formula C48H29NO3 and a molecular weight of 667.76 g/mol. Its IUPAC name is 9-(8-dibenzofuran-4-yldibenzofuran-1-yl)-N,N-diphenyldibenzofuran-2-amine.

Molecular Properties

Compound Name9-(8-dibenzofuran-4-yldibenzofuran-1-yl)-N,N-diphenyldibenzofuran-2-amine
PubChem CID174244522
Molecular FormulaC48H29NO3
Molecular Weight667.76 g/mol
Exact Mass667.21
IUPAC Name9-(8-dibenzofuran-4-yldibenzofuran-1-yl)-N,N-diphenyldibenzofuran-2-amine
SMILESc1ccc(N(c2ccccc2)c2ccc3oc4cccc(-c5cccc6oc7ccc(-c8cccc9c8oc8ccccc89)cc7c56)c4c3c2)cc1
InChIInChI=1S/C48H29NO3/c1-3-12-31(13-4-1)49(32-14-5-2-6-15-32)33-25-27-43-40(29-33)47-37(19-11-23-45(47)51-43)36-18-10-22-44-46(36)39-28-30(24-26-42(39)50-44)34-17-9-20-38-35-16-7-8-21-41(35)52-48(34)38/h1-29H
InChIKeyXDCKKYQSMDDJLM-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-dibenzofuran-4-yl-N,N-diphenyltriphenylen-2-amine
CID 88884869
3-N-dibenzofuran-2-yl-1-N-(4-dibenzofuran-4-ylphenyl)-1-N,3-N,5-N,5-N-tetraphenylbenzene-1,3,5-triamine
CID 118605105
3-N-[3-(N-dibenzofuran-2-yl-3-dibenzofuran-4-ylanilino)phenyl]-1-N,1-N,3-N-triphenylbenzene-1,3-diamine
CID 134198198
N-(3-dibenzofuran-4-ylphenyl)-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-2-amine
CID 172502116
3-dibenzofuran-4-yl-N,N-bis[4-(4-phenylphenyl)phenyl]aniline
CID 59136968
1-N,4-N-bis(4-dibenzofuran-4-ylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine
CID 59022075
4-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-phenylaniline
CID 59022085
4-N-(4-dibenzofuran-2-ylphenyl)-4-N-(4-dibenzofuran-4-ylphenyl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 58510699
N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)triphenylen-2-amine
CID 118214662
1-N,4-N-bis(4-dibenzofuran-4-ylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine;4-N-(4-dibenzofuran-4-ylphenyl)-1-N-[4-[4-(N-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;N-(4-dibenzofuran-4-ylphenyl)-4-[4-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]phenyl]-N-phenylaniline;4-[4-[N-(4-dibenzofuran-4-ylphenyl)-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]-N,N-diphenylaniline
CID 167553634
N,18-diphenyl-N-[4-(4-phenylphenyl)phenyl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-amine
CID 171050522
N,18-diphenyl-N-(4-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-amine
CID 171050042

Frequently Asked Questions

What is the IUPAC name of 9-(8-dibenzofuran-4-yldibenzofuran-1-yl)-N,N-diphenyldibenzofuran-2-amine?
The IUPAC name of 9-(8-dibenzofuran-4-yldibenzofuran-1-yl)-N,N-diphenyldibenzofuran-2-amine (CID 174244522) is 9-(8-dibenzofuran-4-yldibenzofuran-1-yl)-N,N-diphenyldibenzofuran-2-amine.
What is the SMILES notation for 9-(8-dibenzofuran-4-yldibenzofuran-1-yl)-N,N-diphenyldibenzofuran-2-amine?
The canonical SMILES for 9-(8-dibenzofuran-4-yldibenzofuran-1-yl)-N,N-diphenyldibenzofuran-2-amine is c1ccc(N(c2ccccc2)c2ccc3oc4cccc(-c5cccc6oc7ccc(-c8cccc9c8oc8ccccc89)cc7c56)c4c3c2)cc1.
What is the InChIKey of 9-(8-dibenzofuran-4-yldibenzofuran-1-yl)-N,N-diphenyldibenzofuran-2-amine?
The InChIKey is XDCKKYQSMDDJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29NO3/c1-3-12-31(13-4-1)49(32-14-5-2-6-15-32)33-25-27-43-40(29-33)47-37(19-11-23-45(47)51-43)36-18-10-22-44-46(36)39-28-30(24-26-42(39)50-44)34-17-9-20-38-35-16-7-8-21-41(35)52-48(34)38/h1-29H.
What are the key properties of 9-(8-dibenzofuran-4-yldibenzofuran-1-yl)-N,N-diphenyldibenzofuran-2-amine?
9-(8-dibenzofuran-4-yldibenzofuran-1-yl)-N,N-diphenyldibenzofuran-2-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-(8-dibenzofuran-4-yldibenzofuran-1-yl)-N,N-diphenyldibenzofuran-2-amine is sourced from PubChem (CID 174244522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).