N,N-bis(4-naphthalen-1-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine

C48H31NO — CID 130290124

IUPACN,N-bis(4-naphthalen-1-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
SMILESc1ccc2c(-c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4cccc5c4oc4ccc6ccccc6c45)cc3)cccc2c1
InChIInChI=1S/C48H31NO/c1-4-15-39-32(10-1)13-7-18-41(39)35-22-27-37(28-23-35)49(38-29-24-36(25-30-38)42-19-8-14-33-11-2-5-16-40(33)42)45-21-9-20-44-47-43-17-6-3-12-34(43)26-31-46(47)50-48(44)45/h1-31H
InChIKeyPZWNYBGTNMMJKB-UHFFFAOYSA-N
MW637.78 g/mol
LogP13.85
Rot. Bonds5

About N,N-bis(4-naphthalen-1-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine

N,N-bis(4-naphthalen-1-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine (PubChem CID 130290124) has the molecular formula C48H31NO and a molecular weight of 637.78 g/mol. Its IUPAC name is N,N-bis(4-naphthalen-1-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine.

Molecular Properties

Compound NameN,N-bis(4-naphthalen-1-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
PubChem CID130290124
Molecular FormulaC48H31NO
Molecular Weight637.78 g/mol
Exact Mass637.24
IUPAC NameN,N-bis(4-naphthalen-1-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
SMILESc1ccc2c(-c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4cccc5c4oc4ccc6ccccc6c45)cc3)cccc2c1
InChIInChI=1S/C48H31NO/c1-4-15-39-32(10-1)13-7-18-41(39)35-22-27-37(28-23-35)49(38-29-24-36(25-30-38)42-19-8-14-33-11-2-5-16-40(33)42)45-21-9-20-44-47-43-17-6-3-12-34(43)26-31-46(47)50-48(44)45/h1-31H
InChIKeyPZWNYBGTNMMJKB-UHFFFAOYSA-N
XLogP13.85
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.78
LogP ≤ 513.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-bis(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 130289750
4-naphthalen-1-yl-N,N-bis(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)aniline
CID 134337475
4-naphthalen-1-yl-N-(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)-N-phenylaniline
CID 170031129
N-[3-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 169285534
N-(4-naphthalen-1-ylphenyl)-N-naphtho[2,1-b][1]benzofuran-9-yl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-amine
CID 164998659
N-dibenzofuran-4-yl-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171739351
N-(3-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-8-amine
CID 130289869
N-dibenzofuran-4-yl-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 168804017
N-(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)-6-phenyl-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 130289739
N-(4-benzo[g]phenanthren-3-ylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 167183316
N-naphthalen-2-yl-N-phenylnaphtho[2,1-b][1]benzofuran-8-amine
CID 170031315
N,4-diphenyl-N-(6-phenylnaphthalen-2-yl)naphtho[2,1-b][1]benzofuran-8-amine
CID 177130990

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-naphthalen-1-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine?
The IUPAC name of N,N-bis(4-naphthalen-1-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine (CID 130290124) is N,N-bis(4-naphthalen-1-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine.
What is the SMILES notation for N,N-bis(4-naphthalen-1-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine?
The canonical SMILES for N,N-bis(4-naphthalen-1-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine is c1ccc2c(-c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4cccc5c4oc4ccc6ccccc6c45)cc3)cccc2c1.
What is the InChIKey of N,N-bis(4-naphthalen-1-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine?
The InChIKey is PZWNYBGTNMMJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31NO/c1-4-15-39-32(10-1)13-7-18-41(39)35-22-27-37(28-23-35)49(38-29-24-36(25-30-38)42-19-8-14-33-11-2-5-16-40(33)42)45-21-9-20-44-47-43-17-6-3-12-34(43)26-31-46(47)50-48(44)45/h1-31H.
What are the key properties of N,N-bis(4-naphthalen-1-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine?
N,N-bis(4-naphthalen-1-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine has a molecular weight of 637.78 g/mol, XLogP of 13.85, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-naphthalen-1-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine is sourced from PubChem (CID 130290124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).