6-naphthalen-1-yl-N-naphthalen-2-yl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine

C48H31NO — CID 169295868

IUPAC6-naphthalen-1-yl-N-naphthalen-2-yl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine
SMILESc1ccc(-c2ccc(N(c3ccc4ccccc4c3)c3cccc4oc5c(-c6cccc7ccccc67)c6ccccc6cc5c34)cc2)cc1
InChIInChI=1S/C48H31NO/c1-2-12-32(13-3-1)34-24-27-38(28-25-34)49(39-29-26-33-14-4-5-16-36(33)30-39)44-22-11-23-45-47(44)43-31-37-17-7-9-20-41(37)46(48(43)50-45)42-21-10-18-35-15-6-8-19-40(35)42/h1-31H
InChIKeySETFUHBAVPZPJI-UHFFFAOYSA-N
MW637.78 g/mol
LogP13.85
Rot. Bonds5

About 6-naphthalen-1-yl-N-naphthalen-2-yl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine

6-naphthalen-1-yl-N-naphthalen-2-yl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine (PubChem CID 169295868) has the molecular formula C48H31NO and a molecular weight of 637.78 g/mol. Its IUPAC name is 6-naphthalen-1-yl-N-naphthalen-2-yl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine.

Molecular Properties

Compound Name6-naphthalen-1-yl-N-naphthalen-2-yl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine
PubChem CID169295868
Molecular FormulaC48H31NO
Molecular Weight637.78 g/mol
Exact Mass637.24
IUPAC Name6-naphthalen-1-yl-N-naphthalen-2-yl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine
SMILESc1ccc(-c2ccc(N(c3ccc4ccccc4c3)c3cccc4oc5c(-c6cccc7ccccc67)c6ccccc6cc5c34)cc2)cc1
InChIInChI=1S/C48H31NO/c1-2-12-32(13-3-1)34-24-27-38(28-25-34)49(39-29-26-33-14-4-5-16-36(33)30-39)44-22-11-23-45-47(44)43-31-37-17-7-9-20-41(37)46(48(43)50-45)42-21-10-18-35-15-6-8-19-40(35)42/h1-31H
InChIKeySETFUHBAVPZPJI-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-naphthalen-2-yl-6-phenanthren-9-yl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine
CID 169296304
N-naphthalen-1-yl-6-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine
CID 169296294
N-naphthalen-2-yl-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-1-amine
CID 172502233
N-naphthalen-2-yl-7-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 155423671
N-(2-dibenzofuran-4-yl-3-phenylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 170666084
N-naphthalen-2-yl-N,5-bis(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine;N-phenyl-5-(2-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine;N-phenyl-5-(2-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine;N-phenyl-5-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 160848679
N-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069406
N-naphthalen-2-yl-7-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 155423922
N-(3-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 167277971
N-naphthalen-2-yl-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-4-amine
CID 172501495
N,N-dinaphthalen-2-yl-6-(2-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine
CID 174320717
N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171737637

Frequently Asked Questions

What is the IUPAC name of 6-naphthalen-1-yl-N-naphthalen-2-yl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine?
The IUPAC name of 6-naphthalen-1-yl-N-naphthalen-2-yl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine (CID 169295868) is 6-naphthalen-1-yl-N-naphthalen-2-yl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine.
What is the SMILES notation for 6-naphthalen-1-yl-N-naphthalen-2-yl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine?
The canonical SMILES for 6-naphthalen-1-yl-N-naphthalen-2-yl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine is c1ccc(-c2ccc(N(c3ccc4ccccc4c3)c3cccc4oc5c(-c6cccc7ccccc67)c6ccccc6cc5c34)cc2)cc1.
What is the InChIKey of 6-naphthalen-1-yl-N-naphthalen-2-yl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine?
The InChIKey is SETFUHBAVPZPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31NO/c1-2-12-32(13-3-1)34-24-27-38(28-25-34)49(39-29-26-33-14-4-5-16-36(33)30-39)44-22-11-23-45-47(44)43-31-37-17-7-9-20-41(37)46(48(43)50-45)42-21-10-18-35-15-6-8-19-40(35)42/h1-31H.
What are the key properties of 6-naphthalen-1-yl-N-naphthalen-2-yl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine?
6-naphthalen-1-yl-N-naphthalen-2-yl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-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 6-naphthalen-1-yl-N-naphthalen-2-yl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine is sourced from PubChem (CID 169295868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).