N-[3-[3-(10-phenylphenanthren-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine

C56H37NO — CID 134453745

IUPACN-[3-[3-(10-phenylphenanthren-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
SMILESc1ccc(-c2ccc(N(c3cccc(-c4cccc(-c5c(-c6ccccc6)c6ccccc6c6ccccc56)c4)c3)c3cccc4c3oc3ccccc34)cc2)cc1
InChIInChI=1S/C56H37NO/c1-3-16-38(17-4-1)39-32-34-44(35-33-39)57(52-30-15-29-51-48-26-11-12-31-53(48)58-56(51)52)45-23-14-21-42(37-45)41-20-13-22-43(36-41)55-50-28-10-8-25-47(50)46-24-7-9-27-49(46)54(55)40-18-5-2-6-19-40/h1-37H
InChIKeyPGNWUGPOMUYAKR-UHFFFAOYSA-N
MW739.92 g/mol
LogP16.03
Rot. Bonds7

About N-[3-[3-(10-phenylphenanthren-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine

N-[3-[3-(10-phenylphenanthren-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine (PubChem CID 134453745) has the molecular formula C56H37NO and a molecular weight of 739.92 g/mol. Its IUPAC name is N-[3-[3-(10-phenylphenanthren-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine.

Molecular Properties

Compound NameN-[3-[3-(10-phenylphenanthren-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
PubChem CID134453745
Molecular FormulaC56H37NO
Molecular Weight739.92 g/mol
Exact Mass739.29
IUPAC NameN-[3-[3-(10-phenylphenanthren-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
SMILESc1ccc(-c2ccc(N(c3cccc(-c4cccc(-c5c(-c6ccccc6)c6ccccc6c6ccccc56)c4)c3)c3cccc4c3oc3ccccc34)cc2)cc1
InChIInChI=1S/C56H37NO/c1-3-16-38(17-4-1)39-32-34-44(35-33-39)57(52-30-15-29-51-48-26-11-12-31-53(48)58-56(51)52)45-23-14-21-42(37-45)41-20-13-22-43(36-41)55-50-28-10-8-25-47(50)46-24-7-9-27-49(46)54(55)40-18-5-2-6-19-40/h1-37H
InChIKeyPGNWUGPOMUYAKR-UHFFFAOYSA-N
XLogP16.03
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500739.92
LogP ≤ 516.03
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-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 169064652
N-[3-[4-[3-(N-dibenzofuran-4-ylanilino)phenyl]phenyl]phenyl]-N-phenyldibenzofuran-4-amine
CID 71126918
N-dibenzofuran-4-yl-N-[3-[3-(10-phenylphenanthren-9-yl)phenyl]phenyl]dibenzofuran-4-amine;N-[3-[3-(10-phenylphenanthren-9-yl)phenyl]phenyl]-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-3-amine;6-phenyl-N-[3-[3-(10-phenylphenanthren-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 157337291
N-[10-(3-phenylphenyl)phenanthren-9-yl]-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 155304327
N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-4-amine
CID 71126595
N-(3-phenylphenyl)-N-[3-[3-(4-phenyl-N-(6-phenylnaphthalen-2-yl)anilino)phenyl]phenyl]dibenzofuran-4-amine
CID 167086684
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3-naphthalen-2-ylphenyl)dibenzofuran-4-amine
CID 169062439
7-(7-dibenzofuran-3-yldibenzofuran-3-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 174244796
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-4-amine
CID 169064628
N-[10-[3-[4-[4-[4-[4-[dibenzofuran-3-yl-[2-[3-[3-[dibenzofuran-4-yl-(10-phenylphenanthren-9-yl)amino]-5-phenylphenyl]phenyl]-10-phenylphenanthren-9-yl]amino]phenyl]phenyl]phenyl]phenyl]phenyl]phenanthren-9-yl]-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 155305128
N-(3-naphthalen-2-ylphenyl)-N-(4-triphenylen-2-ylphenyl)dibenzofuran-4-amine
CID 167324321
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-4-amine
CID 168804493

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(10-phenylphenanthren-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine?
The IUPAC name of N-[3-[3-(10-phenylphenanthren-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine (CID 134453745) is N-[3-[3-(10-phenylphenanthren-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine.
What is the SMILES notation for N-[3-[3-(10-phenylphenanthren-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine?
The canonical SMILES for N-[3-[3-(10-phenylphenanthren-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine is c1ccc(-c2ccc(N(c3cccc(-c4cccc(-c5c(-c6ccccc6)c6ccccc6c6ccccc56)c4)c3)c3cccc4c3oc3ccccc34)cc2)cc1.
What is the InChIKey of N-[3-[3-(10-phenylphenanthren-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine?
The InChIKey is PGNWUGPOMUYAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H37NO/c1-3-16-38(17-4-1)39-32-34-44(35-33-39)57(52-30-15-29-51-48-26-11-12-31-53(48)58-56(51)52)45-23-14-21-42(37-45)41-20-13-22-43(36-41)55-50-28-10-8-25-47(50)46-24-7-9-27-49(46)54(55)40-18-5-2-6-19-40/h1-37H.
What are the key properties of N-[3-[3-(10-phenylphenanthren-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine?
N-[3-[3-(10-phenylphenanthren-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine has a molecular weight of 739.92 g/mol, XLogP of 16.03, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(10-phenylphenanthren-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine is sourced from PubChem (CID 134453745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).