N-(4-phenanthren-9-ylphenyl)-10-phenyl-N-(3-phenylphenyl)-3,4-dihydronaphtho[1,2-b][1]benzofuran-5-amine

C54H37NO — CID 167144656

IUPACN-(4-phenanthren-9-ylphenyl)-10-phenyl-N-(3-phenylphenyl)-3,4-dihydronaphtho[1,2-b][1]benzofuran-5-amine
SMILESC1=Cc2c(c(N(c3ccc(-c4cc5ccccc5c5ccccc45)cc3)c3cccc(-c4ccccc4)c3)cc3c2oc2c(-c4ccccc4)cccc23)CC1
InChIInChI=1S/C54H37NO/c1-3-15-36(16-4-1)39-20-13-21-42(33-39)55(41-31-29-38(30-32-41)50-34-40-19-7-8-22-43(40)45-23-9-10-24-46(45)50)52-35-51-49-28-14-27-44(37-17-5-2-6-18-37)53(49)56-54(51)48-26-12-11-25-47(48)52/h1-10,12-24,26-35H,11,25H2
InChIKeyBQZFOTUMKVAEKW-UHFFFAOYSA-N
MW715.90 g/mol
LogP15.32
Rot. Bonds6

About N-(4-phenanthren-9-ylphenyl)-10-phenyl-N-(3-phenylphenyl)-3,4-dihydronaphtho[1,2-b][1]benzofuran-5-amine

N-(4-phenanthren-9-ylphenyl)-10-phenyl-N-(3-phenylphenyl)-3,4-dihydronaphtho[1,2-b][1]benzofuran-5-amine (PubChem CID 167144656) has the molecular formula C54H37NO and a molecular weight of 715.90 g/mol. Its IUPAC name is N-(4-phenanthren-9-ylphenyl)-10-phenyl-N-(3-phenylphenyl)-3,4-dihydronaphtho[1,2-b][1]benzofuran-5-amine.

Molecular Properties

Compound NameN-(4-phenanthren-9-ylphenyl)-10-phenyl-N-(3-phenylphenyl)-3,4-dihydronaphtho[1,2-b][1]benzofuran-5-amine
PubChem CID167144656
Molecular FormulaC54H37NO
Molecular Weight715.90 g/mol
Exact Mass715.29
IUPAC NameN-(4-phenanthren-9-ylphenyl)-10-phenyl-N-(3-phenylphenyl)-3,4-dihydronaphtho[1,2-b][1]benzofuran-5-amine
SMILESC1=Cc2c(c(N(c3ccc(-c4cc5ccccc5c5ccccc45)cc3)c3cccc(-c4ccccc4)c3)cc3c2oc2c(-c4ccccc4)cccc23)CC1
InChIInChI=1S/C54H37NO/c1-3-15-36(16-4-1)39-20-13-21-42(33-39)55(41-31-29-38(30-32-41)50-34-40-19-7-8-22-43(40)45-23-9-10-24-46(45)50)52-35-51-49-28-14-27-44(37-17-5-2-6-18-37)53(49)56-54(51)48-26-12-11-25-47(48)52/h1-10,12-24,26-35H,11,25H2
InChIKeyBQZFOTUMKVAEKW-UHFFFAOYSA-N
XLogP15.32
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.90
LogP ≤ 515.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-(4-phenanthren-2-ylphenyl)-10-phenyl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 167144378
N-(4-phenanthren-9-ylphenyl)-N-phenyl-4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)aniline
CID 167402206
N,N-bis(4-phenanthren-9-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 142614505
N-(3-dibenzofuran-4-ylphenyl)-5-phenanthren-9-yl-2-phenyl-N-(4-phenylphenyl)aniline
CID 167234646
N-(4-phenanthren-9-ylphenyl)-10-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-5-amine
CID 167277934
N-(4-dibenzofuran-3-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167397171
N-(4-naphthalen-1-ylphenyl)-N-[3-(6-phenyldibenzofuran-4-yl)phenyl]naphthalen-1-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]naphthalen-1-amine;3-(6-phenyldibenzofuran-4-yl)-N,N-bis(4-phenylphenyl)aniline
CID 160941283
N-(4-phenanthren-9-ylphenyl)-10-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-6-amine
CID 167277671
N-(4-phenanthren-9-ylphenyl)-6-phenyl-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 167397469
N-(4-naphthalen-1-ylphenyl)-3-(6-phenyldibenzofuran-4-yl)-N-(4-phenylphenyl)aniline
CID 121296696
3-(6-naphthalen-1-yldibenzofuran-4-yl)-N,N-bis(4-phenylphenyl)aniline;N-[3-(6-naphthalen-1-yldibenzofuran-4-yl)phenyl]-N-(4-phenylphenyl)phenanthren-9-amine;N-[3-(6-naphthalen-1-yldibenzofuran-4-yl)phenyl]-N-(4-phenylphenyl)triphenylen-2-amine;3-(6-phenyldibenzofuran-4-yl)-N,N-bis(4-phenylphenyl)aniline;N-[3-(6-phenyldibenzofuran-4-yl)phenyl]-N-(4-phenylphenyl)phenanthren-9-amine;N-[3-(6-phenyldibenzofuran-4-yl)phenyl]-N-(4-phenylphenyl)triphenylen-2-amine
CID 161497507
N-(4-phenanthren-9-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-1-amine
CID 163411525

Frequently Asked Questions

What is the IUPAC name of N-(4-phenanthren-9-ylphenyl)-10-phenyl-N-(3-phenylphenyl)-3,4-dihydronaphtho[1,2-b][1]benzofuran-5-amine?
The IUPAC name of N-(4-phenanthren-9-ylphenyl)-10-phenyl-N-(3-phenylphenyl)-3,4-dihydronaphtho[1,2-b][1]benzofuran-5-amine (CID 167144656) is N-(4-phenanthren-9-ylphenyl)-10-phenyl-N-(3-phenylphenyl)-3,4-dihydronaphtho[1,2-b][1]benzofuran-5-amine.
What is the SMILES notation for N-(4-phenanthren-9-ylphenyl)-10-phenyl-N-(3-phenylphenyl)-3,4-dihydronaphtho[1,2-b][1]benzofuran-5-amine?
The canonical SMILES for N-(4-phenanthren-9-ylphenyl)-10-phenyl-N-(3-phenylphenyl)-3,4-dihydronaphtho[1,2-b][1]benzofuran-5-amine is C1=Cc2c(c(N(c3ccc(-c4cc5ccccc5c5ccccc45)cc3)c3cccc(-c4ccccc4)c3)cc3c2oc2c(-c4ccccc4)cccc23)CC1.
What is the InChIKey of N-(4-phenanthren-9-ylphenyl)-10-phenyl-N-(3-phenylphenyl)-3,4-dihydronaphtho[1,2-b][1]benzofuran-5-amine?
The InChIKey is BQZFOTUMKVAEKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37NO/c1-3-15-36(16-4-1)39-20-13-21-42(33-39)55(41-31-29-38(30-32-41)50-34-40-19-7-8-22-43(40)45-23-9-10-24-46(45)50)52-35-51-49-28-14-27-44(37-17-5-2-6-18-37)53(49)56-54(51)48-26-12-11-25-47(48)52/h1-10,12-24,26-35H,11,25H2.
What are the key properties of N-(4-phenanthren-9-ylphenyl)-10-phenyl-N-(3-phenylphenyl)-3,4-dihydronaphtho[1,2-b][1]benzofuran-5-amine?
N-(4-phenanthren-9-ylphenyl)-10-phenyl-N-(3-phenylphenyl)-3,4-dihydronaphtho[1,2-b][1]benzofuran-5-amine has a molecular weight of 715.90 g/mol, XLogP of 15.32, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenanthren-9-ylphenyl)-10-phenyl-N-(3-phenylphenyl)-3,4-dihydronaphtho[1,2-b][1]benzofuran-5-amine is sourced from PubChem (CID 167144656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).