N-(3-naphthalen-2-ylphenyl)-N-(5-phenanthren-9-yl-2-phenylphenyl)naphthalen-1-amine

C52H35N — CID 167236522

IUPACN-(3-naphthalen-2-ylphenyl)-N-(5-phenanthren-9-yl-2-phenylphenyl)naphthalen-1-amine
SMILESc1ccc(-c2ccc(-c3cc4ccccc4c4ccccc34)cc2N(c2cccc(-c3ccc4ccccc4c3)c2)c2cccc3ccccc23)cc1
InChIInChI=1S/C52H35N/c1-2-15-37(16-3-1)47-31-30-43(50-34-42-19-7-8-23-45(42)48-25-10-11-26-49(48)50)35-52(47)53(51-27-13-20-38-17-6-9-24-46(38)51)44-22-12-21-40(33-44)41-29-28-36-14-4-5-18-39(36)32-41/h1-35H
InChIKeyBWEYRXRTLNOXPB-UHFFFAOYSA-N
MW673.86 g/mol
LogP14.77
Rot. Bonds6

About N-(3-naphthalen-2-ylphenyl)-N-(5-phenanthren-9-yl-2-phenylphenyl)naphthalen-1-amine

N-(3-naphthalen-2-ylphenyl)-N-(5-phenanthren-9-yl-2-phenylphenyl)naphthalen-1-amine (PubChem CID 167236522) has the molecular formula C52H35N and a molecular weight of 673.86 g/mol. Its IUPAC name is N-(3-naphthalen-2-ylphenyl)-N-(5-phenanthren-9-yl-2-phenylphenyl)naphthalen-1-amine.

Molecular Properties

Compound NameN-(3-naphthalen-2-ylphenyl)-N-(5-phenanthren-9-yl-2-phenylphenyl)naphthalen-1-amine
PubChem CID167236522
Molecular FormulaC52H35N
Molecular Weight673.86 g/mol
Exact Mass673.28
IUPAC NameN-(3-naphthalen-2-ylphenyl)-N-(5-phenanthren-9-yl-2-phenylphenyl)naphthalen-1-amine
SMILESc1ccc(-c2ccc(-c3cc4ccccc4c4ccccc34)cc2N(c2cccc(-c3ccc4ccccc4c3)c2)c2cccc3ccccc23)cc1
InChIInChI=1S/C52H35N/c1-2-15-37(16-3-1)47-31-30-43(50-34-42-19-7-8-23-45(42)48-25-10-11-26-49(48)50)35-52(47)53(51-27-13-20-38-17-6-9-24-46(38)51)44-22-12-21-40(33-44)41-29-28-36-14-4-5-18-39(36)32-41/h1-35H
InChIKeyBWEYRXRTLNOXPB-UHFFFAOYSA-N
XLogP14.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500673.86
LogP ≤ 514.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-naphthalen-2-yl-N-(3-phenanthren-9-ylphenyl)-N-phenylaniline
CID 166566627
5-naphthalen-2-yl-N-(3-naphthalen-1-ylphenyl)-2-phenyl-N-(3-phenylphenyl)aniline
CID 167235718
N-(4-naphthalen-2-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-5-phenanthren-9-yl-2-phenylaniline
CID 167234570
N-(2,5-dinaphthalen-2-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine
CID 167235752
N-(3,4-diphenylphenyl)-N-(3-naphthalen-2-yl-4-phenanthren-9-ylphenyl)naphthalen-1-amine
CID 170054534
5-naphthalen-2-yl-N-(4-phenanthren-2-ylphenyl)-N,2-diphenylaniline
CID 167235212
N-[3-(3-chrysen-6-ylphenyl)phenyl]-N-(2-phenylphenyl)naphthalen-2-amine
CID 170141177
N-naphthalen-1-yl-N-(4-phenanthren-9-ylphenyl)phenanthren-9-amine;N-naphthalen-2-yl-N-(4-phenanthren-9-ylphenyl)phenanthren-9-amine;N-(4-phenanthren-9-ylphenyl)-N-phenylphenanthren-9-amine;N-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)phenanthren-9-amine
CID 163586209
N-[2-[2-(2,4-diphenylphenyl)phenyl]phenyl]-N-(3-naphthalen-2-ylphenyl)naphthalen-1-amine
CID 172502888
N-naphthalen-2-yl-N-(4-phenanthren-9-ylphenyl)phenanthren-9-amine;N-(4-phenanthren-9-ylphenyl)-N-(2-phenylphenyl)phenanthren-9-amine;N-(4-phenanthren-9-ylphenyl)-N-(3-phenylphenyl)phenanthren-9-amine;N-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)phenanthren-9-amine
CID 163909892
5-naphthalen-2-yl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-(4-phenanthren-2-ylphenyl)-2-phenylaniline
CID 167235270
N-(3-chrysen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-3-phenylaniline
CID 170141257

Frequently Asked Questions

What is the IUPAC name of N-(3-naphthalen-2-ylphenyl)-N-(5-phenanthren-9-yl-2-phenylphenyl)naphthalen-1-amine?
The IUPAC name of N-(3-naphthalen-2-ylphenyl)-N-(5-phenanthren-9-yl-2-phenylphenyl)naphthalen-1-amine (CID 167236522) is N-(3-naphthalen-2-ylphenyl)-N-(5-phenanthren-9-yl-2-phenylphenyl)naphthalen-1-amine.
What is the SMILES notation for N-(3-naphthalen-2-ylphenyl)-N-(5-phenanthren-9-yl-2-phenylphenyl)naphthalen-1-amine?
The canonical SMILES for N-(3-naphthalen-2-ylphenyl)-N-(5-phenanthren-9-yl-2-phenylphenyl)naphthalen-1-amine is c1ccc(-c2ccc(-c3cc4ccccc4c4ccccc34)cc2N(c2cccc(-c3ccc4ccccc4c3)c2)c2cccc3ccccc23)cc1.
What is the InChIKey of N-(3-naphthalen-2-ylphenyl)-N-(5-phenanthren-9-yl-2-phenylphenyl)naphthalen-1-amine?
The InChIKey is BWEYRXRTLNOXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35N/c1-2-15-37(16-3-1)47-31-30-43(50-34-42-19-7-8-23-45(42)48-25-10-11-26-49(48)50)35-52(47)53(51-27-13-20-38-17-6-9-24-46(38)51)44-22-12-21-40(33-44)41-29-28-36-14-4-5-18-39(36)32-41/h1-35H.
What are the key properties of N-(3-naphthalen-2-ylphenyl)-N-(5-phenanthren-9-yl-2-phenylphenyl)naphthalen-1-amine?
N-(3-naphthalen-2-ylphenyl)-N-(5-phenanthren-9-yl-2-phenylphenyl)naphthalen-1-amine has a molecular weight of 673.86 g/mol, XLogP of 14.77, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-naphthalen-2-ylphenyl)-N-(5-phenanthren-9-yl-2-phenylphenyl)naphthalen-1-amine is sourced from PubChem (CID 167236522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).