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

C46H31NO — CID 155423284

IUPACN-phenyl-N,5-bis(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
SMILESc1ccc(-c2cccc(-c3cc4c(oc5cccc(N(c6ccccc6)c6cccc(-c7ccccc7)c6)c54)c4ccccc34)c2)cc1
InChIInChI=1S/C46H31NO/c1-4-15-32(16-5-1)34-19-12-21-36(29-34)41-31-42-45-43(27-14-28-44(45)48-46(42)40-26-11-10-25-39(40)41)47(37-22-8-3-9-23-37)38-24-13-20-35(30-38)33-17-6-2-7-18-33/h1-31H
InChIKeyCTNGDOQFIHBNRD-UHFFFAOYSA-N
MW613.76 g/mol
LogP13.21
Rot. Bonds6

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

N-phenyl-N,5-bis(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine (PubChem CID 155423284) has the molecular formula C46H31NO and a molecular weight of 613.76 g/mol. Its IUPAC name is N-phenyl-N,5-bis(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine.

Molecular Properties

Compound NameN-phenyl-N,5-bis(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
PubChem CID155423284
Molecular FormulaC46H31NO
Molecular Weight613.76 g/mol
Exact Mass613.24
IUPAC NameN-phenyl-N,5-bis(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
SMILESc1ccc(-c2cccc(-c3cc4c(oc5cccc(N(c6ccccc6)c6cccc(-c7ccccc7)c6)c54)c4ccccc34)c2)cc1
InChIInChI=1S/C46H31NO/c1-4-15-32(16-5-1)34-19-12-21-36(29-34)41-31-42-45-43(27-14-28-44(45)48-46(42)40-26-11-10-25-39(40)41)47(37-22-8-3-9-23-37)38-24-13-20-35(30-38)33-17-6-2-7-18-33/h1-31H
InChIKeyCTNGDOQFIHBNRD-UHFFFAOYSA-N
XLogP13.21
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.76
LogP ≤ 513.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,5-diphenyl-N-[3-(2-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 174329064
N-phenyl-5-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 155423541
5-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 155423267
5-naphthalen-2-yl-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine;5-naphthalen-2-yl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine;5-naphthalen-2-yl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 157311049
N,5-bis(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[1,2-b][1]benzofuran-7-amine
CID 155423727
N-naphthalen-1-yl-5-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 155423687
N,7-diphenyl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 155423378
N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-8-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-4-amine
CID 167144371
N-phenyl-N-[4-[5-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-yl]phenyl]dibenzofuran-1-amine
CID 167144315
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
7-phenyl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-5-amine
CID 155423525
N-[3-[3-[N-dibenzofuran-1-yl-4-(4-phenylphenyl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 167086573

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N,5-bis(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine?
The IUPAC name of N-phenyl-N,5-bis(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine (CID 155423284) is N-phenyl-N,5-bis(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine.
What is the SMILES notation for N-phenyl-N,5-bis(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine?
The canonical SMILES for N-phenyl-N,5-bis(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine is c1ccc(-c2cccc(-c3cc4c(oc5cccc(N(c6ccccc6)c6cccc(-c7ccccc7)c6)c54)c4ccccc34)c2)cc1.
What is the InChIKey of N-phenyl-N,5-bis(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine?
The InChIKey is CTNGDOQFIHBNRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H31NO/c1-4-15-32(16-5-1)34-19-12-21-36(29-34)41-31-42-45-43(27-14-28-44(45)48-46(42)40-26-11-10-25-39(40)41)47(37-22-8-3-9-23-37)38-24-13-20-35(30-38)33-17-6-2-7-18-33/h1-31H.
What are the key properties of N-phenyl-N,5-bis(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine?
N-phenyl-N,5-bis(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine has a molecular weight of 613.76 g/mol, XLogP of 13.21, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N,5-bis(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine is sourced from PubChem (CID 155423284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).