N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine

C50H33NO — CID 167402145

IUPACN-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)oc4c6ccccc6c(-c6ccccc6)cc54)cc3)c3cccc4ccccc34)cc2)cc1
InChIInChI=1S/C50H33NO/c1-3-12-34(13-4-1)35-22-27-40(28-23-35)51(48-21-11-17-37-16-7-8-18-42(37)48)41-29-24-36(25-30-41)39-26-31-44-47-33-46(38-14-5-2-6-15-38)43-19-9-10-20-45(43)50(47)52-49(44)32-39/h1-33H
InChIKeyGTIQYFADPUWJCA-UHFFFAOYSA-N
MW663.82 g/mol
LogP14.36
Rot. Bonds6

About N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine

N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine (PubChem CID 167402145) has the molecular formula C50H33NO and a molecular weight of 663.82 g/mol. Its IUPAC name is N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine.

Molecular Properties

Compound NameN-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
PubChem CID167402145
Molecular FormulaC50H33NO
Molecular Weight663.82 g/mol
Exact Mass663.26
IUPAC NameN-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)oc4c6ccccc6c(-c6ccccc6)cc54)cc3)c3cccc4ccccc34)cc2)cc1
InChIInChI=1S/C50H33NO/c1-3-12-34(13-4-1)35-22-27-40(28-23-35)51(48-21-11-17-37-16-7-8-18-42(37)48)41-29-24-36(25-30-41)39-26-31-44-47-33-46(38-14-5-2-6-15-38)43-19-9-10-20-45(43)50(47)52-49(44)32-39/h1-33H
InChIKeyGTIQYFADPUWJCA-UHFFFAOYSA-N
XLogP14.36
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.82
LogP ≤ 514.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 167143783
N,4-diphenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)phenyl]aniline
CID 167143448
N-phenyl-N-[4-[5-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-yl]phenyl]dibenzofuran-1-amine
CID 167144315
N-(4-naphthalen-1-ylphenyl)-N-phenyl-4-[5-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-yl]aniline
CID 167143212
N-naphthalen-1-yl-5-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 155423687
3-phenanthren-2-yl-N-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)phenyl]aniline
CID 167144563
N-(4-benzo[c]phenanthren-5-ylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-4-amine
CID 167181692
N-(4-phenanthren-9-ylphenyl)-5-phenyl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
CID 167143588
N-dibenzofuran-4-yl-N,5-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 167403132
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 59136875
N-dibenzofuran-3-yl-N,5-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 167402059
N-dibenzofuran-3-yl-5-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 167144400

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine?
The IUPAC name of N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine (CID 167402145) is N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine.
What is the SMILES notation for N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine?
The canonical SMILES for N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)oc4c6ccccc6c(-c6ccccc6)cc54)cc3)c3cccc4ccccc34)cc2)cc1.
What is the InChIKey of N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine?
The InChIKey is GTIQYFADPUWJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33NO/c1-3-12-34(13-4-1)35-22-27-40(28-23-35)51(48-21-11-17-37-16-7-8-18-42(37)48)41-29-24-36(25-30-41)39-26-31-44-47-33-46(38-14-5-2-6-15-38)43-19-9-10-20-45(43)50(47)52-49(44)32-39/h1-33H.
What are the key properties of N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine?
N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine has a molecular weight of 663.82 g/mol, XLogP of 14.36, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine is sourced from PubChem (CID 167402145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).