N-dibenzofuran-3-yl-N-(4-naphthalen-1-ylphenyl)-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-12-amine

C46H27NO2S — CID 158009046

IUPACN-dibenzofuran-3-yl-N-(4-naphthalen-1-ylphenyl)-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-12-amine
SMILESc1ccc2c(-c3ccc(N(c4ccc5c(c4)oc4ccccc45)c4cc5oc6ccccc6c5c5sc6ccccc6c45)cc3)cccc2c1
InChIInChI=1S/C46H27NO2S/c1-2-12-32-28(10-1)11-9-16-33(32)29-20-22-30(23-21-29)47(31-24-25-35-34-13-3-6-17-39(34)48-41(35)26-31)38-27-42-45(36-14-4-7-18-40(36)49-42)46-44(38)37-15-5-8-19-43(37)50-46/h1-27H
InChIKeyOGYKKCSCHJXSAY-UHFFFAOYSA-N
MW657.79 g/mol
LogP14.14
Rot. Bonds4

About N-dibenzofuran-3-yl-N-(4-naphthalen-1-ylphenyl)-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-12-amine

N-dibenzofuran-3-yl-N-(4-naphthalen-1-ylphenyl)-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-12-amine (PubChem CID 158009046) has the molecular formula C46H27NO2S and a molecular weight of 657.79 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-N-(4-naphthalen-1-ylphenyl)-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-12-amine.

Molecular Properties

Compound NameN-dibenzofuran-3-yl-N-(4-naphthalen-1-ylphenyl)-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-12-amine
PubChem CID158009046
Molecular FormulaC46H27NO2S
Molecular Weight657.79 g/mol
Exact Mass657.18
IUPAC NameN-dibenzofuran-3-yl-N-(4-naphthalen-1-ylphenyl)-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-12-amine
SMILESc1ccc2c(-c3ccc(N(c4ccc5c(c4)oc4ccccc45)c4cc5oc6ccccc6c5c5sc6ccccc6c45)cc3)cccc2c1
InChIInChI=1S/C46H27NO2S/c1-2-12-32-28(10-1)11-9-16-33(32)29-20-22-30(23-21-29)47(31-24-25-35-34-13-3-6-17-39(34)48-41(35)26-31)38-27-42-45(36-14-4-7-18-40(36)49-42)46-44(38)37-15-5-8-19-43(37)50-46/h1-27H
InChIKeyOGYKKCSCHJXSAY-UHFFFAOYSA-N
XLogP14.14
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500657.79
LogP ≤ 514.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-dibenzofuran-3-yl-N-(4-naphthalen-1-ylphenyl)-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-12-amine with MolForge

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Related Compounds

N,N-bis(4-naphthalen-1-ylphenyl)-8-phenylphenanthren-1-amine;N-(4-naphthalen-1-ylphenyl)-N-(8-phenylphenanthren-1-yl)dibenzofuran-3-amine;N-(4-naphthalen-1-ylphenyl)-N-(8-phenylphenanthren-1-yl)dibenzothiophen-4-amine;N-(4-naphthalen-1-ylphenyl)-8-phenyl-N-(4-phenylphenyl)phenanthren-1-amine
CID 157163450
N-(4-naphthalen-1-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-4-ylphenyl)dibenzothiophen-4-amine
CID 170032627
N-(3-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine
CID 168767493
N-[4-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-12-yl)phenyl]phenyl]-N-phenylnaphtho[2,1-b][1]benzofuran-9-amine
CID 158070951
N-(2-dibenzofuran-3-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-3-amine
CID 167326184
N-dibenzothiophen-4-yl-N-[3-(5-phenylnaphthalen-2-yl)phenyl]dibenzofuran-3-amine
CID 154605494
N-naphthalen-2-yl-N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)phenyl]-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-12-amine
CID 170929822
N-(2-dibenzothiophen-1-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-3-amine
CID 167325748
7-N-dibenzofuran-3-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine;7-N-dibenzothiophen-3-yl-2-N-(4-naphthalen-1-ylphenyl)-2-N-phenyl-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine;7-N-dibenzothiophen-4-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine
CID 167608369
N-(4-naphthalen-1-ylphenyl)-N-[4-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]dibenzofuran-3-amine
CID 164989809
7-dibenzofuran-2-yl-N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-4-amine
CID 138718857
N-(4-naphthalen-1-ylphenyl)-N-naphtho[2,1-b][1]benzothiol-3-yldibenzofuran-1-amine
CID 170039765

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-3-yl-N-(4-naphthalen-1-ylphenyl)-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-12-amine?
The IUPAC name of N-dibenzofuran-3-yl-N-(4-naphthalen-1-ylphenyl)-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-12-amine (CID 158009046) is N-dibenzofuran-3-yl-N-(4-naphthalen-1-ylphenyl)-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-12-amine.
What is the SMILES notation for N-dibenzofuran-3-yl-N-(4-naphthalen-1-ylphenyl)-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-12-amine?
The canonical SMILES for N-dibenzofuran-3-yl-N-(4-naphthalen-1-ylphenyl)-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-12-amine is c1ccc2c(-c3ccc(N(c4ccc5c(c4)oc4ccccc45)c4cc5oc6ccccc6c5c5sc6ccccc6c45)cc3)cccc2c1.
What is the InChIKey of N-dibenzofuran-3-yl-N-(4-naphthalen-1-ylphenyl)-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-12-amine?
The InChIKey is OGYKKCSCHJXSAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H27NO2S/c1-2-12-32-28(10-1)11-9-16-33(32)29-20-22-30(23-21-29)47(31-24-25-35-34-13-3-6-17-39(34)48-41(35)26-31)38-27-42-45(36-14-4-7-18-40(36)49-42)46-44(38)37-15-5-8-19-43(37)50-46/h1-27H.
What are the key properties of N-dibenzofuran-3-yl-N-(4-naphthalen-1-ylphenyl)-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-12-amine?
N-dibenzofuran-3-yl-N-(4-naphthalen-1-ylphenyl)-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-12-amine has a molecular weight of 657.79 g/mol, XLogP of 14.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-3-yl-N-(4-naphthalen-1-ylphenyl)-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-12-amine is sourced from PubChem (CID 158009046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).