N-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-10-phenylphenanthren-9-amine

C46H31N — CID 155304881

IUPACN-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-10-phenylphenanthren-9-amine
SMILESc1ccc(-c2c(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3cccc4ccccc34)c3ccccc3c3ccccc23)cc1
InChIInChI=1S/C46H31N/c1-2-15-35(16-3-1)45-42-22-10-8-20-40(42)41-21-9-11-23-43(41)46(45)47(44-24-12-18-34-14-6-7-19-39(34)44)38-29-27-33(28-30-38)37-26-25-32-13-4-5-17-36(32)31-37/h1-31H
InChIKeyKDFDRMAAMGLRBP-UHFFFAOYSA-N
MW597.76 g/mol
LogP13.10
Rot. Bonds5

About N-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-10-phenylphenanthren-9-amine

N-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-10-phenylphenanthren-9-amine (PubChem CID 155304881) has the molecular formula C46H31N and a molecular weight of 597.76 g/mol. Its IUPAC name is N-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-10-phenylphenanthren-9-amine.

Molecular Properties

Compound NameN-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-10-phenylphenanthren-9-amine
PubChem CID155304881
Molecular FormulaC46H31N
Molecular Weight597.76 g/mol
Exact Mass597.25
IUPAC NameN-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-10-phenylphenanthren-9-amine
SMILESc1ccc(-c2c(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3cccc4ccccc34)c3ccccc3c3ccccc23)cc1
InChIInChI=1S/C46H31N/c1-2-15-35(16-3-1)45-42-22-10-8-20-40(42)41-21-9-11-23-43(41)46(45)47(44-24-12-18-34-14-6-7-19-39(34)44)38-29-27-33(28-30-38)37-26-25-32-13-4-5-17-36(32)31-37/h1-31H
InChIKeyKDFDRMAAMGLRBP-UHFFFAOYSA-N
XLogP13.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500597.76
LogP ≤ 513.10
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

N-naphthalen-1-yl-N-(4-phenanthren-3-ylphenyl)-10-phenylphenanthren-9-amine
CID 155303332
N-naphthalen-1-yl-10-naphthalen-2-yl-N-phenylphenanthren-9-amine
CID 155304537
N-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-10-phenylphenanthren-9-amine
CID 155303813
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]naphthalen-1-amine
CID 169063444
10-naphthalen-2-yl-N-phenyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
CID 155304970
N-naphthalen-2-yl-10-phenyl-N-(4-phenylphenyl)phenanthren-9-amine
CID 155304299
N-naphthalen-1-yl-N-(4-phenanthren-9-ylphenyl)-10-(3-phenylphenyl)phenanthren-9-amine
CID 155305498
N-[4-[3-[10-[[4-[3-[10-(N,4-dinaphthalen-2-ylanilino)phenanthren-9-yl]phenyl]naphthalen-1-yl]-naphthalen-1-ylamino]phenanthren-9-yl]phenyl]naphthalen-1-yl]-10-phenyl-N-(4-triphenylen-2-ylphenyl)phenanthren-9-amine
CID 155304882
N-[4-[4-(4-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)anilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 121327844
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-naphthalen-1-yl-6-phenylnaphthalen-2-amine
CID 169065413
N-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)naphthalen-2-amine
CID 153292209
8,13-bis(3-naphthalen-2-ylphenyl)-N,N,6-triphenylbenzo[a]tetracen-5-amine
CID 89178016

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-10-phenylphenanthren-9-amine?
The IUPAC name of N-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-10-phenylphenanthren-9-amine (CID 155304881) is N-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-10-phenylphenanthren-9-amine.
What is the SMILES notation for N-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-10-phenylphenanthren-9-amine?
The canonical SMILES for N-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-10-phenylphenanthren-9-amine is c1ccc(-c2c(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3cccc4ccccc34)c3ccccc3c3ccccc23)cc1.
What is the InChIKey of N-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-10-phenylphenanthren-9-amine?
The InChIKey is KDFDRMAAMGLRBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H31N/c1-2-15-35(16-3-1)45-42-22-10-8-20-40(42)41-21-9-11-23-43(41)46(45)47(44-24-12-18-34-14-6-7-19-39(34)44)38-29-27-33(28-30-38)37-26-25-32-13-4-5-17-36(32)31-37/h1-31H.
What are the key properties of N-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-10-phenylphenanthren-9-amine?
N-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-10-phenylphenanthren-9-amine has a molecular weight of 597.76 g/mol, XLogP of 13.10, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-10-phenylphenanthren-9-amine is sourced from PubChem (CID 155304881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).