N,7-dinaphthalen-1-yl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine

C48H31NO — CID 147538410

IUPACN,7-dinaphthalen-1-yl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
SMILESc1ccc(-c2cccc(N(c3cccc4ccccc34)c3cc4c(oc5cccc(-c6cccc7ccccc67)c54)c4ccccc34)c2)cc1
InChIInChI=1S/C48H31NO/c1-2-14-32(15-3-1)35-20-10-21-36(30-35)49(44-28-12-19-34-17-5-7-23-38(34)44)45-31-43-47-41(39-26-11-18-33-16-4-6-22-37(33)39)27-13-29-46(47)50-48(43)42-25-9-8-24-40(42)45/h1-31H
InChIKeyFOKQPMTUUMSKDN-UHFFFAOYSA-N
MW637.78 g/mol
LogP13.85
Rot. Bonds5

About N,7-dinaphthalen-1-yl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine

N,7-dinaphthalen-1-yl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine (PubChem CID 147538410) has the molecular formula C48H31NO and a molecular weight of 637.78 g/mol. Its IUPAC name is N,7-dinaphthalen-1-yl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine.

Molecular Properties

Compound NameN,7-dinaphthalen-1-yl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
PubChem CID147538410
Molecular FormulaC48H31NO
Molecular Weight637.78 g/mol
Exact Mass637.24
IUPAC NameN,7-dinaphthalen-1-yl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
SMILESc1ccc(-c2cccc(N(c3cccc4ccccc34)c3cc4c(oc5cccc(-c6cccc7ccccc67)c54)c4ccccc34)c2)cc1
InChIInChI=1S/C48H31NO/c1-2-14-32(15-3-1)35-20-10-21-36(30-35)49(44-28-12-19-34-17-5-7-23-38(34)44)45-31-43-47-41(39-26-11-18-33-16-4-6-22-37(33)39)27-13-29-46(47)50-48(43)42-25-9-8-24-40(42)45/h1-31H
InChIKeyFOKQPMTUUMSKDN-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-1-yl-7-phenyl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 155423929
N-naphthalen-1-yl-7-(2-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-5-amine
CID 155423836
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
7-phenyl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-5-amine
CID 155423525
N-naphthalen-2-yl-N,7-bis(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine;N-naphthalen-1-yl-N-(2-phenylphenyl)-7-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine;N-naphthalen-2-yl-N-(2-phenylphenyl)-7-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine;N-naphthalen-2-yl-7-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 159633429
N-dibenzofuran-4-yl-7-naphthalen-2-yl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 155423965
7-naphthalen-2-yl-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine;7-naphthalen-2-yl-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine;7-naphthalen-2-yl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-5-amine
CID 159261204
N-naphthalen-2-yl-N,7-bis(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 155423356
N-(3-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-5-amine
CID 167277566
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

Frequently Asked Questions

What is the IUPAC name of N,7-dinaphthalen-1-yl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine?
The IUPAC name of N,7-dinaphthalen-1-yl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine (CID 147538410) is N,7-dinaphthalen-1-yl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine.
What is the SMILES notation for N,7-dinaphthalen-1-yl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine?
The canonical SMILES for N,7-dinaphthalen-1-yl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine is c1ccc(-c2cccc(N(c3cccc4ccccc34)c3cc4c(oc5cccc(-c6cccc7ccccc67)c54)c4ccccc34)c2)cc1.
What is the InChIKey of N,7-dinaphthalen-1-yl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine?
The InChIKey is FOKQPMTUUMSKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31NO/c1-2-14-32(15-3-1)35-20-10-21-36(30-35)49(44-28-12-19-34-17-5-7-23-38(34)44)45-31-43-47-41(39-26-11-18-33-16-4-6-22-37(33)39)27-13-29-46(47)50-48(43)42-25-9-8-24-40(42)45/h1-31H.
What are the key properties of N,7-dinaphthalen-1-yl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine?
N,7-dinaphthalen-1-yl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-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,7-dinaphthalen-1-yl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine is sourced from PubChem (CID 147538410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).