N,N-dinaphthalen-2-yl-6-(2-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine

C48H31NO — CID 174320717

IUPACN,N-dinaphthalen-2-yl-6-(2-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine
SMILESc1ccc(-c2ccccc2-c2cc3ccccc3c3c2oc2cccc(N(c4ccc5ccccc5c4)c4ccc5ccccc5c4)c23)cc1
InChIInChI=1S/C48H31NO/c1-2-15-34(16-3-1)40-20-10-11-22-42(40)43-31-37-19-8-9-21-41(37)46-47-44(23-12-24-45(47)50-48(43)46)49(38-27-25-32-13-4-6-17-35(32)29-38)39-28-26-33-14-5-7-18-36(33)30-39/h1-31H
InChIKeyZWTMYRXJEUIVRK-UHFFFAOYSA-N
MW637.78 g/mol
LogP13.85
Rot. Bonds5

About N,N-dinaphthalen-2-yl-6-(2-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine

N,N-dinaphthalen-2-yl-6-(2-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine (PubChem CID 174320717) has the molecular formula C48H31NO and a molecular weight of 637.78 g/mol. Its IUPAC name is N,N-dinaphthalen-2-yl-6-(2-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine.

Molecular Properties

Compound NameN,N-dinaphthalen-2-yl-6-(2-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine
PubChem CID174320717
Molecular FormulaC48H31NO
Molecular Weight637.78 g/mol
Exact Mass637.24
IUPAC NameN,N-dinaphthalen-2-yl-6-(2-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine
SMILESc1ccc(-c2ccccc2-c2cc3ccccc3c3c2oc2cccc(N(c4ccc5ccccc5c4)c4ccc5ccccc5c4)c23)cc1
InChIInChI=1S/C48H31NO/c1-2-15-34(16-3-1)40-20-10-11-22-42(40)43-31-37-19-8-9-21-41(37)46-47-44(23-12-24-45(47)50-48(43)46)49(38-27-25-32-13-4-6-17-35(32)29-38)39-28-26-33-14-5-7-18-36(33)30-39/h1-31H
InChIKeyZWTMYRXJEUIVRK-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(9,9-dimethylfluoren-2-yl)-6-(2-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine
CID 174320773
N-naphthalen-2-yl-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-4-amine
CID 172501495
N-naphthalen-2-yl-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-1-amine
CID 172502233
N-naphthalen-2-yl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine
CID 172501948
N-naphthalen-2-yl-6-phenanthren-9-yl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine
CID 169296304
6-naphthalen-1-yl-N-naphthalen-2-yl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine
CID 169295868
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,7-bis(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 155423356
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-dibenzofuran-1-yl-N,6-diphenylnaphtho[2,1-b][1]benzofuran-11-amine
CID 176844569
N-naphthalen-2-yl-5-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine
CID 170301658

Frequently Asked Questions

What is the IUPAC name of N,N-dinaphthalen-2-yl-6-(2-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine?
The IUPAC name of N,N-dinaphthalen-2-yl-6-(2-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine (CID 174320717) is N,N-dinaphthalen-2-yl-6-(2-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine.
What is the SMILES notation for N,N-dinaphthalen-2-yl-6-(2-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine?
The canonical SMILES for N,N-dinaphthalen-2-yl-6-(2-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine is c1ccc(-c2ccccc2-c2cc3ccccc3c3c2oc2cccc(N(c4ccc5ccccc5c4)c4ccc5ccccc5c4)c23)cc1.
What is the InChIKey of N,N-dinaphthalen-2-yl-6-(2-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine?
The InChIKey is ZWTMYRXJEUIVRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31NO/c1-2-15-34(16-3-1)40-20-10-11-22-42(40)43-31-37-19-8-9-21-41(37)46-47-44(23-12-24-45(47)50-48(43)46)49(38-27-25-32-13-4-6-17-35(32)29-38)39-28-26-33-14-5-7-18-36(33)30-39/h1-31H.
What are the key properties of N,N-dinaphthalen-2-yl-6-(2-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine?
N,N-dinaphthalen-2-yl-6-(2-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-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-dinaphthalen-2-yl-6-(2-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine is sourced from PubChem (CID 174320717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).