N-(4-chrysen-3-ylphenyl)-N-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine

C52H33NO — CID 170140380

IUPACN-(4-chrysen-3-ylphenyl)-N-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine
SMILESc1ccc(-c2cccc(N(c3ccc(-c4ccc5ccc6c7ccccc7ccc6c5c4)cc3)c3cccc4c3oc3cc5ccccc5cc34)c2)cc1
InChIInChI=1S/C52H33NO/c1-2-10-34(11-3-1)38-15-8-16-43(30-38)53(50-19-9-18-47-49-32-39-13-4-5-14-40(39)33-51(49)54-52(47)50)42-26-22-35(23-27-42)41-21-20-37-25-28-45-44-17-7-6-12-36(44)24-29-46(45)48(37)31-41/h1-33H
InChIKeyYQVRYHKSTUXEDM-UHFFFAOYSA-N
MW687.84 g/mol
LogP15.00
Rot. Bonds5

About N-(4-chrysen-3-ylphenyl)-N-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine

N-(4-chrysen-3-ylphenyl)-N-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine (PubChem CID 170140380) has the molecular formula C52H33NO and a molecular weight of 687.84 g/mol. Its IUPAC name is N-(4-chrysen-3-ylphenyl)-N-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine.

Molecular Properties

Compound NameN-(4-chrysen-3-ylphenyl)-N-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine
PubChem CID170140380
Molecular FormulaC52H33NO
Molecular Weight687.84 g/mol
Exact Mass687.26
IUPAC NameN-(4-chrysen-3-ylphenyl)-N-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine
SMILESc1ccc(-c2cccc(N(c3ccc(-c4ccc5ccc6c7ccccc7ccc6c5c4)cc3)c3cccc4c3oc3cc5ccccc5cc34)c2)cc1
InChIInChI=1S/C52H33NO/c1-2-10-34(11-3-1)38-15-8-16-43(30-38)53(50-19-9-18-47-49-32-39-13-4-5-14-40(39)33-51(49)54-52(47)50)42-26-22-35(23-27-42)41-21-20-37-25-28-45-44-17-7-6-12-36(44)24-29-46(45)48(37)31-41/h1-33H
InChIKeyYQVRYHKSTUXEDM-UHFFFAOYSA-N
XLogP15.00
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500687.84
LogP ≤ 515.00
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-[3-[3-[dibenzofuran-4-yl-(6-phenylnaphthalen-2-yl)amino]phenyl]phenyl]-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine
CID 167086293
N-(3-naphthalen-2-ylphenyl)-N-(4-triphenylen-2-ylphenyl)dibenzofuran-4-amine
CID 167324321
N-naphthalen-2-yl-N,16-diphenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-8-amine
CID 171050314
N-(4-dibenzofuran-2-ylphenyl)-N-phenanthren-3-yl-8-phenyldibenzofuran-4-amine
CID 168809994
N-(4-phenanthren-9-ylphenyl)-N-[3-[7-(9-phenylphenanthren-2-yl)phenanthren-3-yl]phenyl]dibenzofuran-4-amine
CID 154936079
N-phenanthren-3-yl-9-phenyl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-1-amine
CID 146817238
N-(3-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-8-amine
CID 130289869
N-(3-phenylphenyl)-N-[3-[3-(4-phenyl-N-(6-phenylnaphthalen-2-yl)anilino)phenyl]phenyl]dibenzofuran-4-amine
CID 167086684
N-(4-naphthalen-2-ylphenyl)-N-phenanthren-3-yldibenzofuran-4-amine
CID 168809708
N,17-diphenyl-N-(4-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-8-amine
CID 171050051
N-naphthalen-1-yl-N-phenyl-18-[4-(N-phenylanilino)phenyl]-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaen-5-amine
CID 121260370
N-(4-benzo[c]phenanthren-5-ylphenyl)-N-phenylnaphtho[2,3-b][1]benzofuran-4-amine
CID 167181830

Frequently Asked Questions

What is the IUPAC name of N-(4-chrysen-3-ylphenyl)-N-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine?
The IUPAC name of N-(4-chrysen-3-ylphenyl)-N-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine (CID 170140380) is N-(4-chrysen-3-ylphenyl)-N-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine.
What is the SMILES notation for N-(4-chrysen-3-ylphenyl)-N-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine?
The canonical SMILES for N-(4-chrysen-3-ylphenyl)-N-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine is c1ccc(-c2cccc(N(c3ccc(-c4ccc5ccc6c7ccccc7ccc6c5c4)cc3)c3cccc4c3oc3cc5ccccc5cc34)c2)cc1.
What is the InChIKey of N-(4-chrysen-3-ylphenyl)-N-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine?
The InChIKey is YQVRYHKSTUXEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33NO/c1-2-10-34(11-3-1)38-15-8-16-43(30-38)53(50-19-9-18-47-49-32-39-13-4-5-14-40(39)33-51(49)54-52(47)50)42-26-22-35(23-27-42)41-21-20-37-25-28-45-44-17-7-6-12-36(44)24-29-46(45)48(37)31-41/h1-33H.
What are the key properties of N-(4-chrysen-3-ylphenyl)-N-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine?
N-(4-chrysen-3-ylphenyl)-N-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine has a molecular weight of 687.84 g/mol, XLogP of 15.00, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chrysen-3-ylphenyl)-N-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine is sourced from PubChem (CID 170140380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).