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

C42H27NO — CID 170272586

IUPACN-naphthalen-1-yl-N-(3-naphthalen-2-ylphenyl)naphtho[2,3-b][1]benzofuran-2-amine
SMILESc1cc(-c2ccc3ccccc3c2)cc(N(c2ccc3oc4cc5ccccc5cc4c3c2)c2cccc3ccccc23)c1
InChIInChI=1S/C42H27NO/c1-2-11-30-23-34(20-19-28(30)9-1)31-15-7-16-35(24-31)43(40-18-8-14-29-10-5-6-17-37(29)40)36-21-22-41-39(27-36)38-25-32-12-3-4-13-33(32)26-42(38)44-41/h1-27H
InChIKeySMKCISSKXXOPCR-UHFFFAOYSA-N
MW561.68 g/mol
LogP12.18
Rot. Bonds4

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

N-naphthalen-1-yl-N-(3-naphthalen-2-ylphenyl)naphtho[2,3-b][1]benzofuran-2-amine (PubChem CID 170272586) has the molecular formula C42H27NO and a molecular weight of 561.68 g/mol. Its IUPAC name is N-naphthalen-1-yl-N-(3-naphthalen-2-ylphenyl)naphtho[2,3-b][1]benzofuran-2-amine.

Molecular Properties

Compound NameN-naphthalen-1-yl-N-(3-naphthalen-2-ylphenyl)naphtho[2,3-b][1]benzofuran-2-amine
PubChem CID170272586
Molecular FormulaC42H27NO
Molecular Weight561.68 g/mol
Exact Mass561.21
IUPAC NameN-naphthalen-1-yl-N-(3-naphthalen-2-ylphenyl)naphtho[2,3-b][1]benzofuran-2-amine
SMILESc1cc(-c2ccc3ccccc3c2)cc(N(c2ccc3oc4cc5ccccc5cc4c3c2)c2cccc3ccccc23)c1
InChIInChI=1S/C42H27NO/c1-2-11-30-23-34(20-19-28(30)9-1)31-15-7-16-35(24-31)43(40-18-8-14-29-10-5-6-17-37(29)40)36-21-22-41-39(27-36)38-25-32-12-3-4-13-33(32)26-42(38)44-41/h1-27H
InChIKeySMKCISSKXXOPCR-UHFFFAOYSA-N
XLogP12.18
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.68
LogP ≤ 512.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-naphthalen-1-yl-N-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]dibenzofuran-2-amine
CID 174256439
2-N,9-N-dinaphthalen-1-yl-2-N,9-N-diphenylnaphtho[2,3-b][1]benzofuran-2,9-diamine
CID 139573022
N-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-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 170779528
N-(3-dibenzofuran-1-ylphenyl)-N-(3-naphthalen-2-ylphenyl)naphthalen-1-amine
CID 167324150
N-naphthalen-1-yl-N-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzofuran-1-amine
CID 174256672
N-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-phenyldibenzofuran-2-amine
CID 174256821
N-phenyl-N-[3-(8-phenyldibenzofuran-2-yl)phenyl]naphthalen-1-amine
CID 121296588
N-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-2-amine
CID 174256841
N-(3-naphthalen-2-ylphenyl)-N-phenyldibenzofuran-1-amine
CID 167323696
N-dibenzofuran-1-yl-N-(6-naphthalen-2-ylnaphthalen-2-yl)dibenzofuran-2-amine
CID 121325423
N-(3-naphthalen-1-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-2-naphtho[2,3-b][1]benzofuran-2-ylaniline
CID 174277323
N-[4-[8-[4-(N-naphthalen-1-ylanilino)phenyl]dibenzofuran-2-yl]phenyl]-N-phenylnaphthalen-1-amine
CID 130438409

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-N-(3-naphthalen-2-ylphenyl)naphtho[2,3-b][1]benzofuran-2-amine?
The IUPAC name of N-naphthalen-1-yl-N-(3-naphthalen-2-ylphenyl)naphtho[2,3-b][1]benzofuran-2-amine (CID 170272586) is N-naphthalen-1-yl-N-(3-naphthalen-2-ylphenyl)naphtho[2,3-b][1]benzofuran-2-amine.
What is the SMILES notation for N-naphthalen-1-yl-N-(3-naphthalen-2-ylphenyl)naphtho[2,3-b][1]benzofuran-2-amine?
The canonical SMILES for N-naphthalen-1-yl-N-(3-naphthalen-2-ylphenyl)naphtho[2,3-b][1]benzofuran-2-amine is c1cc(-c2ccc3ccccc3c2)cc(N(c2ccc3oc4cc5ccccc5cc4c3c2)c2cccc3ccccc23)c1.
What is the InChIKey of N-naphthalen-1-yl-N-(3-naphthalen-2-ylphenyl)naphtho[2,3-b][1]benzofuran-2-amine?
The InChIKey is SMKCISSKXXOPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27NO/c1-2-11-30-23-34(20-19-28(30)9-1)31-15-7-16-35(24-31)43(40-18-8-14-29-10-5-6-17-37(29)40)36-21-22-41-39(27-36)38-25-32-12-3-4-13-33(32)26-42(38)44-41/h1-27H.
What are the key properties of N-naphthalen-1-yl-N-(3-naphthalen-2-ylphenyl)naphtho[2,3-b][1]benzofuran-2-amine?
N-naphthalen-1-yl-N-(3-naphthalen-2-ylphenyl)naphtho[2,3-b][1]benzofuran-2-amine has a molecular weight of 561.68 g/mol, XLogP of 12.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-N-(3-naphthalen-2-ylphenyl)naphtho[2,3-b][1]benzofuran-2-amine is sourced from PubChem (CID 170272586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).