N-naphthalen-1-yl-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-2-amine

C44H27NO2 — CID 167329955

IUPACN-naphthalen-1-yl-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-2-amine
SMILESc1ccc(N(c2ccc3oc4ccccc4c3c2)c2cccc3ccccc23)c(-c2cccc3oc4c5ccccc5ccc4c23)c1
InChIInChI=1S/C44H27NO2/c1-3-14-31-28(11-1)13-9-20-38(31)45(30-24-26-41-37(27-30)34-17-6-8-21-40(34)46-41)39-19-7-5-16-33(39)35-18-10-22-42-43(35)36-25-23-29-12-2-4-15-32(29)44(36)47-42/h1-27H
InChIKeyDQZSRPOTGYGUJB-UHFFFAOYSA-N
MW601.71 g/mol
LogP12.93
Rot. Bonds4

About N-naphthalen-1-yl-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-2-amine

N-naphthalen-1-yl-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-2-amine (PubChem CID 167329955) has the molecular formula C44H27NO2 and a molecular weight of 601.71 g/mol. Its IUPAC name is N-naphthalen-1-yl-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-2-amine.

Molecular Properties

Compound NameN-naphthalen-1-yl-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-2-amine
PubChem CID167329955
Molecular FormulaC44H27NO2
Molecular Weight601.71 g/mol
Exact Mass601.20
IUPAC NameN-naphthalen-1-yl-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-2-amine
SMILESc1ccc(N(c2ccc3oc4ccccc4c3c2)c2cccc3ccccc23)c(-c2cccc3oc4c5ccccc5ccc4c23)c1
InChIInChI=1S/C44H27NO2/c1-3-14-31-28(11-1)13-9-20-38(31)45(30-24-26-41-37(27-30)34-17-6-8-21-40(34)46-41)39-19-7-5-16-33(39)35-18-10-22-42-43(35)36-25-23-29-12-2-4-15-32(29)44(36)47-42/h1-27H
InChIKeyDQZSRPOTGYGUJB-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-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(2-phenylphenyl)dibenzofuran-3-amine
CID 167330637
N-naphthalen-1-yl-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzothiophen-2-amine
CID 167329695
N-[2-[2-[dibenzofuran-3-yl(naphthalen-1-yl)amino]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-3-amine
CID 167087101
N,N-dinaphthalen-1-ylnaphtho[1,2-b][1]benzofuran-2-amine
CID 167277467
N-(4-dibenzofuran-2-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-yl-N-(4-phenanthren-2-ylphenyl)aniline
CID 167329386
N-naphthalen-1-yl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 172503063
N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)naphthalen-1-amine
CID 167329435
N-(4-naphthalen-2-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-3-amine
CID 166939347
N-naphthalen-1-yl-N-[2-[2-[2-(4-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-2-amine
CID 172502268
N-(4-dibenzofuran-1-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-yl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 167329508
N-(2-dibenzofuran-1-ylphenyl)-N-(4-phenanthren-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171739178
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(2-phenylphenyl)dibenzofuran-3-amine
CID 167329689

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-2-amine?
The IUPAC name of N-naphthalen-1-yl-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-2-amine (CID 167329955) is N-naphthalen-1-yl-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-2-amine.
What is the SMILES notation for N-naphthalen-1-yl-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-2-amine?
The canonical SMILES for N-naphthalen-1-yl-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-2-amine is c1ccc(N(c2ccc3oc4ccccc4c3c2)c2cccc3ccccc23)c(-c2cccc3oc4c5ccccc5ccc4c23)c1.
What is the InChIKey of N-naphthalen-1-yl-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-2-amine?
The InChIKey is DQZSRPOTGYGUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H27NO2/c1-3-14-31-28(11-1)13-9-20-38(31)45(30-24-26-41-37(27-30)34-17-6-8-21-40(34)46-41)39-19-7-5-16-33(39)35-18-10-22-42-43(35)36-25-23-29-12-2-4-15-32(29)44(36)47-42/h1-27H.
What are the key properties of N-naphthalen-1-yl-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-2-amine?
N-naphthalen-1-yl-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-2-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-naphthalen-1-yl-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-2-amine is sourced from PubChem (CID 167329955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).