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

C44H29N — CID 164747948

IUPACN-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)chrysen-3-amine
SMILESc1ccc2cc(-c3ccc(N(c4ccc5ccccc5c4)c4ccc5ccc6c7ccccc7ccc6c5c4)cc3)ccc2c1
InChIInChI=1S/C44H29N/c1-3-10-35-27-37(14-13-30(35)7-1)32-15-21-38(22-16-32)45(39-23-17-31-8-2-4-11-36(31)28-39)40-24-18-34-20-25-42-41-12-6-5-9-33(41)19-26-43(42)44(34)29-40/h1-29H
InChIKeyDOETXFBRNGBBOT-UHFFFAOYSA-N
MW571.72 g/mol
LogP12.59
Rot. Bonds4

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

N-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)chrysen-3-amine (PubChem CID 164747948) 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-2-ylphenyl)chrysen-3-amine.

Molecular Properties

Compound NameN-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)chrysen-3-amine
PubChem CID164747948
Molecular FormulaC44H29N
Molecular Weight571.72 g/mol
Exact Mass571.23
IUPAC NameN-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)chrysen-3-amine
SMILESc1ccc2cc(-c3ccc(N(c4ccc5ccccc5c4)c4ccc5ccc6c7ccccc7ccc6c5c4)cc3)ccc2c1
InChIInChI=1S/C44H29N/c1-3-10-35-27-37(14-13-30(35)7-1)32-15-21-38(22-16-32)45(39-23-17-31-8-2-4-11-36(31)28-39)40-24-18-34-20-25-42-41-12-6-5-9-33(41)19-26-43(42)44(34)29-40/h1-29H
InChIKeyDOETXFBRNGBBOT-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,N-diphenyl-4-(6-picen-2-ylnaphthalen-2-yl)aniline
CID 58511216
N-phenanthren-2-yl-N-(4-phenylphenyl)chrysen-3-amine
CID 170135801
N-(4-chrysen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline
CID 170675871
N-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)chrysen-3-amine
CID 170130702
N-chrysen-3-yl-N-(4-naphthalen-2-ylphenyl)dibenzofuran-2-amine
CID 170130661
N-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)naphthalen-2-amine
CID 153292153
N-(4-chrysen-3-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline
CID 170135838
N,N-bis(4-phenylphenyl)chrysen-2-amine
CID 164748030
N-(4-naphthalen-2-ylphenyl)-N-phenanthren-3-yldibenzothiophen-3-amine
CID 168809897
N-(4-benzo[c]phenanthren-2-ylphenyl)-N-naphthalen-2-yl-6-phenylnaphthalen-2-amine
CID 167183089
N,N-bis(4-phenanthren-2-ylphenyl)-4-(4-phenylphenyl)aniline;N-(4-naphthalen-2-ylphenyl)-4-phenanthren-2-yl-N-(4-phenanthren-2-ylphenyl)aniline;4-phenanthren-2-yl-N-(4-phenanthren-2-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 163719367
N,N-bis(4-naphthalen-2-ylphenyl)-9,10-diphenylphenanthren-2-amine
CID 169062685

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)chrysen-3-amine?
The IUPAC name of N-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)chrysen-3-amine (CID 164747948) is N-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)chrysen-3-amine.
What is the SMILES notation for N-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)chrysen-3-amine?
The canonical SMILES for N-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)chrysen-3-amine is c1ccc2cc(-c3ccc(N(c4ccc5ccccc5c4)c4ccc5ccc6c7ccccc7ccc6c5c4)cc3)ccc2c1.
What is the InChIKey of N-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)chrysen-3-amine?
The InChIKey is DOETXFBRNGBBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29N/c1-3-10-35-27-37(14-13-30(35)7-1)32-15-21-38(22-16-32)45(39-23-17-31-8-2-4-11-36(31)28-39)40-24-18-34-20-25-42-41-12-6-5-9-33(41)19-26-43(42)44(34)29-40/h1-29H.
What are the key properties of N-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)chrysen-3-amine?
N-naphthalen-2-yl-N-(4-naphthalen-2-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-2-ylphenyl)chrysen-3-amine is sourced from PubChem (CID 164747948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).