N-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)chrysen-3-amine

C44H29N — CID 170130702

IUPACN-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)chrysen-3-amine
SMILESc1ccc2cc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc4ccc5c6ccccc6ccc5c4c3)ccc2c1
InChIInChI=1S/C44H29N/c1-2-11-35-28-37(24-16-30(35)8-1)45(36-22-17-33(18-23-36)40-15-7-12-31-9-3-5-13-39(31)40)38-25-19-34-21-26-42-41-14-6-4-10-32(41)20-27-43(42)44(34)29-38/h1-29H
InChIKeyNYNHHHHYTSGFCI-UHFFFAOYSA-N
MW571.72 g/mol
LogP12.59
Rot. Bonds4

About N-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)chrysen-3-amine

N-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)chrysen-3-amine (PubChem CID 170130702) has the molecular formula C44H29N and a molecular weight of 571.72 g/mol. Its IUPAC name is N-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)chrysen-3-amine.

Molecular Properties

Compound NameN-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)chrysen-3-amine
PubChem CID170130702
Molecular FormulaC44H29N
Molecular Weight571.72 g/mol
Exact Mass571.23
IUPAC NameN-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)chrysen-3-amine
SMILESc1ccc2cc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc4ccc5c6ccccc6ccc5c4c3)ccc2c1
InChIInChI=1S/C44H29N/c1-2-11-35-28-37(24-16-30(35)8-1)45(36-22-17-33(18-23-36)40-15-7-12-31-9-3-5-13-39(31)40)38-25-19-34-21-26-42-41-14-6-4-10-32(41)20-27-43(42)44(34)29-38/h1-29H
InChIKeyNYNHHHHYTSGFCI-UHFFFAOYSA-N
XLogP12.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.72
LogP ≤ 512.59
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-2-yl-N-(4-naphthalen-1-ylphenyl)-9,10-diphenylphenanthren-2-amine
CID 169063182
N-(4-naphthalen-1-ylphenyl)-N-phenanthren-3-ylphenanthren-1-amine
CID 168809817
N-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)chrysen-3-amine
CID 164747948
N-(4-naphthalen-1-ylphenyl)-N-phenanthren-3-yldibenzofuran-3-amine
CID 168809644
N-phenanthren-3-yl-N-(4-phenanthren-1-ylphenyl)dibenzothiophen-3-amine
CID 168809970
N-[4-[1-[3-(N-naphthalen-2-ylanilino)phenyl]chrysen-6-yl]phenyl]-N-phenylnaphthalen-2-amine
CID 122416704
N-phenanthren-2-yl-N-(4-phenylphenyl)chrysen-3-amine
CID 170135801
N-(4-phenanthren-9-ylphenyl)-N-[4-(4-phenanthren-9-ylphenyl)phenyl]naphthalen-2-amine
CID 166956443
N-chrysen-2-yl-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-3-amine
CID 170130743
5-naphthalen-1-yl-3-N-naphthalen-2-yl-1-N,1-N,3-N-tris(4-phenylphenyl)benzene-1,3-diamine
CID 146663317
N-naphthalen-2-yl-N-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]naphthalen-2-amine;N-[4-[4-(4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine;N-[4-(3-phenylphenyl)phenyl]-N-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]naphthalen-1-amine
CID 159824921
N-(4-chrysen-6-ylphenyl)-N-(3-phenylphenyl)naphthalen-2-amine
CID 170135686

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)chrysen-3-amine?
The IUPAC name of N-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)chrysen-3-amine (CID 170130702) is N-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)chrysen-3-amine.
What is the SMILES notation for N-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)chrysen-3-amine?
The canonical SMILES for N-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)chrysen-3-amine is c1ccc2cc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc4ccc5c6ccccc6ccc5c4c3)ccc2c1.
What is the InChIKey of N-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)chrysen-3-amine?
The InChIKey is NYNHHHHYTSGFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29N/c1-2-11-35-28-37(24-16-30(35)8-1)45(36-22-17-33(18-23-36)40-15-7-12-31-9-3-5-13-39(31)40)38-25-19-34-21-26-42-41-14-6-4-10-32(41)20-27-43(42)44(34)29-38/h1-29H.
What are the key properties of N-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)chrysen-3-amine?
N-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)chrysen-3-amine has a molecular weight of 571.72 g/mol, XLogP of 12.59, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)chrysen-3-amine is sourced from PubChem (CID 170130702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).