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

C46H27NO3 — CID 164975918

IUPACN-dibenzofuran-4-yl-N-(4-naphthalen-2-ylphenyl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine
SMILESc1ccc2cc(-c3ccc(N(c4cccc5c4oc4ccccc45)c4cccc5oc6ccc7c8ccccc8oc7c6c45)cc3)ccc2c1
InChIInChI=1S/C46H27NO3/c1-2-10-30-27-31(20-19-28(30)9-1)29-21-23-32(24-22-29)47(38-15-7-13-35-33-11-3-5-16-39(33)49-45(35)38)37-14-8-18-41-43(37)44-42(48-41)26-25-36-34-12-4-6-17-40(34)50-46(36)44/h1-27H
InChIKeyPMMFYNBOGVVIQG-UHFFFAOYSA-N
MW641.73 g/mol
LogP13.67
Rot. Bonds4

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

N-dibenzofuran-4-yl-N-(4-naphthalen-2-ylphenyl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine (PubChem CID 164975918) has the molecular formula C46H27NO3 and a molecular weight of 641.73 g/mol. Its IUPAC name is N-dibenzofuran-4-yl-N-(4-naphthalen-2-ylphenyl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine.

Molecular Properties

Compound NameN-dibenzofuran-4-yl-N-(4-naphthalen-2-ylphenyl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine
PubChem CID164975918
Molecular FormulaC46H27NO3
Molecular Weight641.73 g/mol
Exact Mass641.20
IUPAC NameN-dibenzofuran-4-yl-N-(4-naphthalen-2-ylphenyl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine
SMILESc1ccc2cc(-c3ccc(N(c4cccc5c4oc4ccccc45)c4cccc5oc6ccc7c8ccccc8oc7c6c45)cc3)ccc2c1
InChIInChI=1S/C46H27NO3/c1-2-10-30-27-31(20-19-28(30)9-1)29-21-23-32(24-22-29)47(38-15-7-13-35-33-11-3-5-16-39(33)49-45(35)38)37-14-8-18-41-43(37)44-42(48-41)26-25-36-34-12-4-6-17-40(34)50-46(36)44/h1-27H
InChIKeyPMMFYNBOGVVIQG-UHFFFAOYSA-N
XLogP13.67
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.73
LogP ≤ 513.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 166566280
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 168804037
N-(3-naphthalen-2-ylphenyl)-N-(4-triphenylen-2-ylphenyl)dibenzofuran-4-amine
CID 167324321
N-(4-naphthalen-2-ylphenyl)-N-phenanthren-3-yldibenzofuran-4-amine
CID 168809708
N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 166566139
N-dibenzofuran-2-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738515
N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-1-amine
CID 155186611
N,3-di(dibenzofuran-4-yl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-4-amine
CID 171435380
N-[3-naphthalen-2-yl-2-(6-phenylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 177097122
N-(2-dibenzofuran-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171738787
N-dibenzothiophen-4-yl-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 166566035
N,N-bis(4-phenylphenyl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine;N-phenanthren-2-yl-N-phenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine;N-phenanthren-3-yl-N-phenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine;N-(3-phenylphenyl)-N-(4-phenylphenyl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine
CID 165050554

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-4-yl-N-(4-naphthalen-2-ylphenyl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine?
The IUPAC name of N-dibenzofuran-4-yl-N-(4-naphthalen-2-ylphenyl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine (CID 164975918) is N-dibenzofuran-4-yl-N-(4-naphthalen-2-ylphenyl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine.
What is the SMILES notation for N-dibenzofuran-4-yl-N-(4-naphthalen-2-ylphenyl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine?
The canonical SMILES for N-dibenzofuran-4-yl-N-(4-naphthalen-2-ylphenyl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine is c1ccc2cc(-c3ccc(N(c4cccc5c4oc4ccccc45)c4cccc5oc6ccc7c8ccccc8oc7c6c45)cc3)ccc2c1.
What is the InChIKey of N-dibenzofuran-4-yl-N-(4-naphthalen-2-ylphenyl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine?
The InChIKey is PMMFYNBOGVVIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H27NO3/c1-2-10-30-27-31(20-19-28(30)9-1)29-21-23-32(24-22-29)47(38-15-7-13-35-33-11-3-5-16-39(33)49-45(35)38)37-14-8-18-41-43(37)44-42(48-41)26-25-36-34-12-4-6-17-40(34)50-46(36)44/h1-27H.
What are the key properties of N-dibenzofuran-4-yl-N-(4-naphthalen-2-ylphenyl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine?
N-dibenzofuran-4-yl-N-(4-naphthalen-2-ylphenyl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine has a molecular weight of 641.73 g/mol, XLogP of 13.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-4-yl-N-(4-naphthalen-2-ylphenyl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine is sourced from PubChem (CID 164975918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).