N-naphtho[2,1-b][1]benzofuran-3-yl-N-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine

C44H27NO2 — CID 176616843

IUPACN-naphtho[2,1-b][1]benzofuran-3-yl-N-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine
SMILESc1ccc(-c2cccc(N(c3ccc4c(ccc5oc6ccccc6c54)c3)c3ccc4c(c3)oc3cc5ccccc5cc34)c2)cc1
InChIInChI=1S/C44H27NO2/c1-2-9-28(10-3-1)29-13-8-14-33(23-29)45(34-18-20-36-32(24-34)17-22-41-44(36)38-15-6-7-16-40(38)46-41)35-19-21-37-39-25-30-11-4-5-12-31(30)26-42(39)47-43(37)27-35/h1-27H
InChIKeyKZKSWAPSVOAAOD-UHFFFAOYSA-N
MW601.71 g/mol
LogP12.93
Rot. Bonds4

About N-naphtho[2,1-b][1]benzofuran-3-yl-N-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine

N-naphtho[2,1-b][1]benzofuran-3-yl-N-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine (PubChem CID 176616843) has the molecular formula C44H27NO2 and a molecular weight of 601.71 g/mol. Its IUPAC name is N-naphtho[2,1-b][1]benzofuran-3-yl-N-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine.

Molecular Properties

Compound NameN-naphtho[2,1-b][1]benzofuran-3-yl-N-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine
PubChem CID176616843
Molecular FormulaC44H27NO2
Molecular Weight601.71 g/mol
Exact Mass601.20
IUPAC NameN-naphtho[2,1-b][1]benzofuran-3-yl-N-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine
SMILESc1ccc(-c2cccc(N(c3ccc4c(ccc5oc6ccccc6c54)c3)c3ccc4c(c3)oc3cc5ccccc5cc34)c2)cc1
InChIInChI=1S/C44H27NO2/c1-2-9-28(10-3-1)29-13-8-14-33(23-29)45(34-18-20-36-32(24-34)17-22-41-44(36)38-15-6-7-16-40(38)46-41)35-19-21-37-39-25-30-11-4-5-12-31(30)26-42(39)47-43(37)27-35/h1-27H
InChIKeyKZKSWAPSVOAAOD-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

Analyze N-naphtho[2,1-b][1]benzofuran-3-yl-N-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine with MolForge

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Related Compounds

N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine
CID 176616741
3-naphthalen-2-yl-N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)-N-(4-phenylphenyl)aniline
CID 170030567
N-chrysen-2-yl-N-(3-phenylphenyl)dibenzofuran-3-amine
CID 170137527
N-benzo[c]phenanthren-6-yl-N-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-9-amine
CID 167182901
N-(3-phenylphenyl)-N-[3-[3-(4-phenyl-N-(6-phenylnaphthalen-2-yl)anilino)phenyl]phenyl]dibenzofuran-3-amine
CID 167086989
N-dibenzofuran-3-yl-N-[3-(7-phenylphenanthren-2-yl)phenyl]dibenzofuran-3-amine
CID 138743078
N-(6-phenylnaphthalen-2-yl)-N-(3-phenylphenyl)-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-19-amine
CID 170779368
N-(4-chrysen-2-ylphenyl)-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 170140386
N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 176616745
N-(3-naphtho[2,3-b][1]benzofuran-3-ylphenyl)-N-phenylnaphtho[2,1-b][1]benzofuran-4-amine
CID 176616692
N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-2-amine
CID 170030395
N-dibenzofuran-2-yl-N-(4-naphthalen-2-ylphenyl)-3-phenylnaphtho[2,1-b][1]benzofuran-10-amine
CID 177130873

Frequently Asked Questions

What is the IUPAC name of N-naphtho[2,1-b][1]benzofuran-3-yl-N-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine?
The IUPAC name of N-naphtho[2,1-b][1]benzofuran-3-yl-N-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine (CID 176616843) is N-naphtho[2,1-b][1]benzofuran-3-yl-N-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine.
What is the SMILES notation for N-naphtho[2,1-b][1]benzofuran-3-yl-N-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine?
The canonical SMILES for N-naphtho[2,1-b][1]benzofuran-3-yl-N-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine is c1ccc(-c2cccc(N(c3ccc4c(ccc5oc6ccccc6c54)c3)c3ccc4c(c3)oc3cc5ccccc5cc34)c2)cc1.
What is the InChIKey of N-naphtho[2,1-b][1]benzofuran-3-yl-N-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine?
The InChIKey is KZKSWAPSVOAAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H27NO2/c1-2-9-28(10-3-1)29-13-8-14-33(23-29)45(34-18-20-36-32(24-34)17-22-41-44(36)38-15-6-7-16-40(38)46-41)35-19-21-37-39-25-30-11-4-5-12-31(30)26-42(39)47-43(37)27-35/h1-27H.
What are the key properties of N-naphtho[2,1-b][1]benzofuran-3-yl-N-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine?
N-naphtho[2,1-b][1]benzofuran-3-yl-N-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-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-naphtho[2,1-b][1]benzofuran-3-yl-N-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine is sourced from PubChem (CID 176616843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).