N-(2,3-dihydronaphthalen-1-yl)-N,7-bis(5,6-dihydronaphthalen-1-yl)naphtho[1,2-b][1]benzofuran-5-amine

C46H35NO — CID 155440912

IUPACN-(2,3-dihydronaphthalen-1-yl)-N,7-bis(5,6-dihydronaphthalen-1-yl)naphtho[1,2-b][1]benzofuran-5-amine
SMILESC1=Cc2c(cccc2-c2cccc3oc4c5ccccc5c(N(C5=c6ccccc6=CCC5)c5cccc6c5C=CCC6)cc4c23)CC1
InChIInChI=1S/C46H35NO/c1-4-19-33-30(13-1)16-9-24-36(33)38-25-12-28-44-45(38)40-29-43(37-22-7-8-23-39(37)46(40)48-44)47(41-26-10-17-31-14-2-5-20-34(31)41)42-27-11-18-32-15-3-6-21-35(32)42/h2,4-9,11-12,14,16-25,27-29H,1,3,10,13,15,26H2
InChIKeySMMAAVWQCZRCAE-UHFFFAOYSA-N
MW617.79 g/mol
LogP10.85
Rot. Bonds4

About N-(2,3-dihydronaphthalen-1-yl)-N,7-bis(5,6-dihydronaphthalen-1-yl)naphtho[1,2-b][1]benzofuran-5-amine

N-(2,3-dihydronaphthalen-1-yl)-N,7-bis(5,6-dihydronaphthalen-1-yl)naphtho[1,2-b][1]benzofuran-5-amine (PubChem CID 155440912) has the molecular formula C46H35NO and a molecular weight of 617.79 g/mol. Its IUPAC name is N-(2,3-dihydronaphthalen-1-yl)-N,7-bis(5,6-dihydronaphthalen-1-yl)naphtho[1,2-b][1]benzofuran-5-amine.

Molecular Properties

Compound NameN-(2,3-dihydronaphthalen-1-yl)-N,7-bis(5,6-dihydronaphthalen-1-yl)naphtho[1,2-b][1]benzofuran-5-amine
PubChem CID155440912
Molecular FormulaC46H35NO
Molecular Weight617.79 g/mol
Exact Mass617.27
IUPAC NameN-(2,3-dihydronaphthalen-1-yl)-N,7-bis(5,6-dihydronaphthalen-1-yl)naphtho[1,2-b][1]benzofuran-5-amine
SMILESC1=Cc2c(cccc2-c2cccc3oc4c5ccccc5c(N(C5=c6ccccc6=CCC5)c5cccc6c5C=CCC6)cc4c23)CC1
InChIInChI=1S/C46H35NO/c1-4-19-33-30(13-1)16-9-24-36(33)38-25-12-28-44-45(38)40-29-43(37-22-7-8-23-39(37)46(40)48-44)47(41-26-10-17-31-14-2-5-20-34(31)41)42-27-11-18-32-15-3-6-21-35(32)42/h2,4-9,11-12,14,16-25,27-29H,1,3,10,13,15,26H2
InChIKeySMMAAVWQCZRCAE-UHFFFAOYSA-N
XLogP10.85
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.79
LogP ≤ 510.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-diphenyl-7-[2-(N-phenylanilino)phenyl]naphtho[1,2-b][1]benzofuran-5-amine
CID 155423471
N-[4-[4-(5,6-dihydronaphthalen-1-yl)phenyl]phenyl]-N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)naphthalen-2-amine
CID 174273303
7-(2-methylphenyl)-3,4-dihydronaphtho[1,2-b][1]benzofuran
CID 166939721
12-N-dibenzofuran-4-yl-6-N-(6,7-dihydrodibenzofuran-4-yl)-6-N,12-N-bis(4-propan-2-ylphenyl)chrysene-6,12-diamine
CID 131993922
N-(2-phenylphenyl)-N,7-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 155423438
7-phenyl-N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-5-amine
CID 155423526
N,7-dinaphthalen-1-yl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 147538410
7-[4-(N-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 155423690
N-dibenzofuran-4-yl-N,7-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 155423986
N-naphthalen-2-yl-N,7-bis(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 155423356
N,7-diphenyl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 155423378
7-(2-phenylphenyl)-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-5-amine
CID 155424007

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydronaphthalen-1-yl)-N,7-bis(5,6-dihydronaphthalen-1-yl)naphtho[1,2-b][1]benzofuran-5-amine?
The IUPAC name of N-(2,3-dihydronaphthalen-1-yl)-N,7-bis(5,6-dihydronaphthalen-1-yl)naphtho[1,2-b][1]benzofuran-5-amine (CID 155440912) is N-(2,3-dihydronaphthalen-1-yl)-N,7-bis(5,6-dihydronaphthalen-1-yl)naphtho[1,2-b][1]benzofuran-5-amine.
What is the SMILES notation for N-(2,3-dihydronaphthalen-1-yl)-N,7-bis(5,6-dihydronaphthalen-1-yl)naphtho[1,2-b][1]benzofuran-5-amine?
The canonical SMILES for N-(2,3-dihydronaphthalen-1-yl)-N,7-bis(5,6-dihydronaphthalen-1-yl)naphtho[1,2-b][1]benzofuran-5-amine is C1=Cc2c(cccc2-c2cccc3oc4c5ccccc5c(N(C5=c6ccccc6=CCC5)c5cccc6c5C=CCC6)cc4c23)CC1.
What is the InChIKey of N-(2,3-dihydronaphthalen-1-yl)-N,7-bis(5,6-dihydronaphthalen-1-yl)naphtho[1,2-b][1]benzofuran-5-amine?
The InChIKey is SMMAAVWQCZRCAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H35NO/c1-4-19-33-30(13-1)16-9-24-36(33)38-25-12-28-44-45(38)40-29-43(37-22-7-8-23-39(37)46(40)48-44)47(41-26-10-17-31-14-2-5-20-34(31)41)42-27-11-18-32-15-3-6-21-35(32)42/h2,4-9,11-12,14,16-25,27-29H,1,3,10,13,15,26H2.
What are the key properties of N-(2,3-dihydronaphthalen-1-yl)-N,7-bis(5,6-dihydronaphthalen-1-yl)naphtho[1,2-b][1]benzofuran-5-amine?
N-(2,3-dihydronaphthalen-1-yl)-N,7-bis(5,6-dihydronaphthalen-1-yl)naphtho[1,2-b][1]benzofuran-5-amine has a molecular weight of 617.79 g/mol, XLogP of 10.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydronaphthalen-1-yl)-N,7-bis(5,6-dihydronaphthalen-1-yl)naphtho[1,2-b][1]benzofuran-5-amine is sourced from PubChem (CID 155440912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).