N-naphthalen-2-yl-7-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine

C44H29NO — CID 155423922

IUPACN-naphthalen-2-yl-7-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
SMILESc1ccc(-c2ccc(N(c3ccc4ccccc4c3)c3cc4c(oc5cccc(-c6ccccc6)c54)c4ccccc34)cc2)cc1
InChIInChI=1S/C44H29NO/c1-3-12-30(13-4-1)32-22-25-35(26-23-32)45(36-27-24-31-14-7-8-17-34(31)28-36)41-29-40-43-37(33-15-5-2-6-16-33)20-11-21-42(43)46-44(40)39-19-10-9-18-38(39)41/h1-29H
InChIKeyYOTWODGUWHCSHU-UHFFFAOYSA-N
MW587.72 g/mol
LogP12.70
Rot. Bonds5

About N-naphthalen-2-yl-7-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine

N-naphthalen-2-yl-7-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine (PubChem CID 155423922) has the molecular formula C44H29NO and a molecular weight of 587.72 g/mol. Its IUPAC name is N-naphthalen-2-yl-7-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine.

Molecular Properties

Compound NameN-naphthalen-2-yl-7-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
PubChem CID155423922
Molecular FormulaC44H29NO
Molecular Weight587.72 g/mol
Exact Mass587.22
IUPAC NameN-naphthalen-2-yl-7-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
SMILESc1ccc(-c2ccc(N(c3ccc4ccccc4c3)c3cc4c(oc5cccc(-c6ccccc6)c54)c4ccccc34)cc2)cc1
InChIInChI=1S/C44H29NO/c1-3-12-30(13-4-1)32-22-25-35(26-23-32)45(36-27-24-31-14-7-8-17-34(31)28-36)41-29-40-43-37(33-15-5-2-6-16-33)20-11-21-42(43)46-44(40)39-19-10-9-18-38(39)41/h1-29H
InChIKeyYOTWODGUWHCSHU-UHFFFAOYSA-N
XLogP12.70
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.72
LogP ≤ 512.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-bis(4-phenylphenyl)-7-[3-(N-(4-phenylphenyl)anilino)phenyl]naphtho[1,2-b][1]benzofuran-5-amine;N,N-diphenyl-7-[3-(N-phenylanilino)phenyl]naphtho[1,2-b][1]benzofuran-5-amine;N-naphthalen-2-yl-N-phenyl-7-[4-(N-phenylanilino)phenyl]naphtho[1,2-b][1]benzofuran-5-amine;7-[3-(N-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 158142050
N-naphthalen-2-yl-7-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 155423671
7-[3-(N-naphthalen-2-ylanilino)phenyl]-N,N-diphenylnaphtho[1,2-b][1]benzofuran-5-amine
CID 155423803
N-(4-dibenzofuran-4-ylphenyl)-7-naphthalen-2-yl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 155424002
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
7-phenyl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-5-amine
CID 155423525
7-[4-(N-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 155423690
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,7-diphenyl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 155423378
N-naphthalen-2-yl-N,7-bis(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 155423356
7-phenyl-N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-5-amine
CID 155423526
N-(2-phenylphenyl)-N,7-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 155423438

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-7-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine?
The IUPAC name of N-naphthalen-2-yl-7-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine (CID 155423922) is N-naphthalen-2-yl-7-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine.
What is the SMILES notation for N-naphthalen-2-yl-7-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine?
The canonical SMILES for N-naphthalen-2-yl-7-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine is c1ccc(-c2ccc(N(c3ccc4ccccc4c3)c3cc4c(oc5cccc(-c6ccccc6)c54)c4ccccc34)cc2)cc1.
What is the InChIKey of N-naphthalen-2-yl-7-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine?
The InChIKey is YOTWODGUWHCSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29NO/c1-3-12-30(13-4-1)32-22-25-35(26-23-32)45(36-27-24-31-14-7-8-17-34(31)28-36)41-29-40-43-37(33-15-5-2-6-16-33)20-11-21-42(43)46-44(40)39-19-10-9-18-38(39)41/h1-29H.
What are the key properties of N-naphthalen-2-yl-7-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine?
N-naphthalen-2-yl-7-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine has a molecular weight of 587.72 g/mol, XLogP of 12.70, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-2-yl-7-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine is sourced from PubChem (CID 155423922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).