N-dibenzofuran-4-yl-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-10-amine

C44H27NO2 — CID 168804017

IUPACN-dibenzofuran-4-yl-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
SMILESc1ccc2c(-c3ccc(N(c4cccc5c4oc4ccccc45)c4cccc5c4oc4c6ccccc6ccc54)cc3)cccc2c1
InChIInChI=1S/C44H27NO2/c1-3-13-32-28(10-1)12-7-16-33(32)30-22-25-31(26-23-30)45(39-19-8-17-36-35-15-5-6-21-41(35)46-43(36)39)40-20-9-18-37-38-27-24-29-11-2-4-14-34(29)42(38)47-44(37)40/h1-27H
InChIKeyWZLMKCMOESPOKP-UHFFFAOYSA-N
MW601.71 g/mol
LogP12.93
Rot. Bonds4

About N-dibenzofuran-4-yl-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-10-amine

N-dibenzofuran-4-yl-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-10-amine (PubChem CID 168804017) has the molecular formula C44H27NO2 and a molecular weight of 601.71 g/mol. Its IUPAC name is N-dibenzofuran-4-yl-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-10-amine.

Molecular Properties

Compound NameN-dibenzofuran-4-yl-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
PubChem CID168804017
Molecular FormulaC44H27NO2
Molecular Weight601.71 g/mol
Exact Mass601.20
IUPAC NameN-dibenzofuran-4-yl-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
SMILESc1ccc2c(-c3ccc(N(c4cccc5c4oc4ccccc45)c4cccc5c4oc4c6ccccc6ccc54)cc3)cccc2c1
InChIInChI=1S/C44H27NO2/c1-3-13-32-28(10-1)12-7-16-33(32)30-22-25-31(26-23-30)45(39-19-8-17-36-35-15-5-6-21-41(35)46-43(36)39)40-20-9-18-37-38-27-24-29-11-2-4-14-34(29)42(38)47-44(37)40/h1-27H
InChIKeyWZLMKCMOESPOKP-UHFFFAOYSA-N
XLogP12.93
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.71
LogP ≤ 512.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-dibenzofuran-4-yl-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171739351
N-(4-dibenzofuran-4-ylphenyl)-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 168804121
N-(4-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 168804014
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 168804081
N-(4-naphthalen-1-ylphenyl)-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-4-amine
CID 167277315
N-(4-dibenzofuran-4-ylphenyl)-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 168803987
N,N-di(dibenzofuran-4-yl)naphtho[1,2-b][1]benzofuran-10-amine
CID 168804104
N-[4-(4-phenyldibenzofuran-1-yl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 168804010
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 168788827
N-(4-naphthalen-1-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)dibenzofuran-2-amine
CID 174280847
N-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167397842
N-(2-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine
CID 155186869

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-4-yl-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-10-amine?
The IUPAC name of N-dibenzofuran-4-yl-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-10-amine (CID 168804017) is N-dibenzofuran-4-yl-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-10-amine.
What is the SMILES notation for N-dibenzofuran-4-yl-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-10-amine?
The canonical SMILES for N-dibenzofuran-4-yl-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-10-amine is c1ccc2c(-c3ccc(N(c4cccc5c4oc4ccccc45)c4cccc5c4oc4c6ccccc6ccc54)cc3)cccc2c1.
What is the InChIKey of N-dibenzofuran-4-yl-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-10-amine?
The InChIKey is WZLMKCMOESPOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H27NO2/c1-3-13-32-28(10-1)12-7-16-33(32)30-22-25-31(26-23-30)45(39-19-8-17-36-35-15-5-6-21-41(35)46-43(36)39)40-20-9-18-37-38-27-24-29-11-2-4-14-34(29)42(38)47-44(37)40/h1-27H.
What are the key properties of N-dibenzofuran-4-yl-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-10-amine?
N-dibenzofuran-4-yl-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-10-amine has a molecular weight of 601.71 g/mol, XLogP of 12.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-4-yl-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-10-amine is sourced from PubChem (CID 168804017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).