N,N-bis(4-phenylnaphthalen-1-yl)naphtho[1,2-b][1]benzofuran-2-amine

C48H31NO — CID 170272646

IUPACN,N-bis(4-phenylnaphthalen-1-yl)naphtho[1,2-b][1]benzofuran-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc4ccc5c6ccccc6oc5c4c3)c3ccc(-c4ccccc4)c4ccccc34)c3ccccc23)cc1
InChIInChI=1S/C48H31NO/c1-3-13-32(14-4-1)36-27-29-45(40-19-9-7-17-38(36)40)49(46-30-28-37(33-15-5-2-6-16-33)39-18-8-10-20-41(39)46)35-25-23-34-24-26-43-42-21-11-12-22-47(42)50-48(43)44(34)31-35/h1-31H
InChIKeyIMZYIWGDFCWDPN-UHFFFAOYSA-N
MW637.78 g/mol
LogP13.85
Rot. Bonds5

About N,N-bis(4-phenylnaphthalen-1-yl)naphtho[1,2-b][1]benzofuran-2-amine

N,N-bis(4-phenylnaphthalen-1-yl)naphtho[1,2-b][1]benzofuran-2-amine (PubChem CID 170272646) has the molecular formula C48H31NO and a molecular weight of 637.78 g/mol. Its IUPAC name is N,N-bis(4-phenylnaphthalen-1-yl)naphtho[1,2-b][1]benzofuran-2-amine.

Molecular Properties

Compound NameN,N-bis(4-phenylnaphthalen-1-yl)naphtho[1,2-b][1]benzofuran-2-amine
PubChem CID170272646
Molecular FormulaC48H31NO
Molecular Weight637.78 g/mol
Exact Mass637.24
IUPAC NameN,N-bis(4-phenylnaphthalen-1-yl)naphtho[1,2-b][1]benzofuran-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc4ccc5c6ccccc6oc5c4c3)c3ccc(-c4ccccc4)c4ccccc34)c3ccccc23)cc1
InChIInChI=1S/C48H31NO/c1-3-13-32(14-4-1)36-27-29-45(40-19-9-7-17-38(36)40)49(46-30-28-37(33-15-5-2-6-16-33)39-18-8-10-20-41(39)46)35-25-23-34-24-26-43-42-21-11-12-22-47(42)50-48(43)44(34)31-35/h1-31H
InChIKeyIMZYIWGDFCWDPN-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

Analyze N,N-bis(4-phenylnaphthalen-1-yl)naphtho[1,2-b][1]benzofuran-2-amine with MolForge

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Related Compounds

N-dibenzofuran-3-yl-N-(4-phenylnaphthalen-1-yl)naphtho[1,2-b][1]benzofuran-10-amine
CID 168804139
N,N-dinaphthalen-1-ylnaphtho[1,2-b][1]benzofuran-2-amine
CID 167277467
N-dibenzofuran-3-yl-N-(4-phenylnaphthalen-1-yl)dibenzofuran-3-amine
CID 121241785
N-(4-naphthalen-1-ylphenyl)-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-4-amine
CID 167277315
N-phenanthren-2-yl-N-phenanthren-9-yl-4-phenyldibenzofuran-1-amine
CID 176820953
N-(3,4-diphenylphenyl)-N-phenanthren-1-yl-4-phenyldibenzofuran-1-amine
CID 176821447
N-benzo[c]phenanthren-5-yl-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-3-amine
CID 167182283
N-phenanthren-3-yl-N-phenanthren-9-ylnaphtho[1,2-b][1]benzofuran-2-amine
CID 167277186
N-phenanthren-2-yl-N-phenanthren-9-yl-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176820506
N-dibenzofuran-2-yl-N-phenanthren-2-yl-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176821192
N-(4-dibenzofuran-4-ylphenyl)-N-phenanthren-3-yl-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176821403
N-phenanthren-3-yl-N-(4-phenanthren-1-ylphenyl)-1-phenyldibenzofuran-4-amine
CID 168809808

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-phenylnaphthalen-1-yl)naphtho[1,2-b][1]benzofuran-2-amine?
The IUPAC name of N,N-bis(4-phenylnaphthalen-1-yl)naphtho[1,2-b][1]benzofuran-2-amine (CID 170272646) is N,N-bis(4-phenylnaphthalen-1-yl)naphtho[1,2-b][1]benzofuran-2-amine.
What is the SMILES notation for N,N-bis(4-phenylnaphthalen-1-yl)naphtho[1,2-b][1]benzofuran-2-amine?
The canonical SMILES for N,N-bis(4-phenylnaphthalen-1-yl)naphtho[1,2-b][1]benzofuran-2-amine is c1ccc(-c2ccc(N(c3ccc4ccc5c6ccccc6oc5c4c3)c3ccc(-c4ccccc4)c4ccccc34)c3ccccc23)cc1.
What is the InChIKey of N,N-bis(4-phenylnaphthalen-1-yl)naphtho[1,2-b][1]benzofuran-2-amine?
The InChIKey is IMZYIWGDFCWDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31NO/c1-3-13-32(14-4-1)36-27-29-45(40-19-9-7-17-38(36)40)49(46-30-28-37(33-15-5-2-6-16-33)39-18-8-10-20-41(39)46)35-25-23-34-24-26-43-42-21-11-12-22-47(42)50-48(43)44(34)31-35/h1-31H.
What are the key properties of N,N-bis(4-phenylnaphthalen-1-yl)naphtho[1,2-b][1]benzofuran-2-amine?
N,N-bis(4-phenylnaphthalen-1-yl)naphtho[1,2-b][1]benzofuran-2-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-phenylnaphthalen-1-yl)naphtho[1,2-b][1]benzofuran-2-amine is sourced from PubChem (CID 170272646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).