N-(4-naphthalen-2-ylnaphthalen-1-yl)-N-(2-phenylphenyl)chrysen-2-amine

C50H33N — CID 170130600

IUPACN-(4-naphthalen-2-ylnaphthalen-1-yl)-N-(2-phenylphenyl)chrysen-2-amine
SMILESc1ccc(-c2ccccc2N(c2ccc3c(ccc4c5ccccc5ccc34)c2)c2ccc(-c3ccc4ccccc4c3)c3ccccc23)cc1
InChIInChI=1S/C50H33N/c1-2-13-35(14-3-1)44-18-10-11-21-49(44)51(40-26-29-42-39(33-40)25-28-46-41-17-7-6-15-36(41)24-27-47(42)46)50-31-30-43(45-19-8-9-20-48(45)50)38-23-22-34-12-4-5-16-37(34)32-38/h1-33H
InChIKeyXBIUXVQBUUYRFY-UHFFFAOYSA-N
MW647.82 g/mol
LogP14.26
Rot. Bonds5

About N-(4-naphthalen-2-ylnaphthalen-1-yl)-N-(2-phenylphenyl)chrysen-2-amine

N-(4-naphthalen-2-ylnaphthalen-1-yl)-N-(2-phenylphenyl)chrysen-2-amine (PubChem CID 170130600) has the molecular formula C50H33N and a molecular weight of 647.82 g/mol. Its IUPAC name is N-(4-naphthalen-2-ylnaphthalen-1-yl)-N-(2-phenylphenyl)chrysen-2-amine.

Molecular Properties

Compound NameN-(4-naphthalen-2-ylnaphthalen-1-yl)-N-(2-phenylphenyl)chrysen-2-amine
PubChem CID170130600
Molecular FormulaC50H33N
Molecular Weight647.82 g/mol
Exact Mass647.26
IUPAC NameN-(4-naphthalen-2-ylnaphthalen-1-yl)-N-(2-phenylphenyl)chrysen-2-amine
SMILESc1ccc(-c2ccccc2N(c2ccc3c(ccc4c5ccccc5ccc34)c2)c2ccc(-c3ccc4ccccc4c3)c3ccccc23)cc1
InChIInChI=1S/C50H33N/c1-2-13-35(14-3-1)44-18-10-11-21-49(44)51(40-26-29-42-39(33-40)25-28-46-41-17-7-6-15-36(41)24-27-47(42)46)50-31-30-43(45-19-8-9-20-48(45)50)38-23-22-34-12-4-5-16-37(34)32-38/h1-33H
InChIKeyXBIUXVQBUUYRFY-UHFFFAOYSA-N
XLogP14.26
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500647.82
LogP ≤ 514.26
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-(2-phenylphenyl)chrysen-6-amine
CID 170135515
ethane;7-naphthalen-1-yl-N,N-diphenylphenanthren-2-amine;8-naphthalen-1-yl-N,N-diphenylphenanthren-1-amine;4-naphthalen-1-yl-N-(4-naphthalen-1-ylnaphthalen-1-yl)-N-phenylnaphthalen-1-amine;5-naphthalen-1-yl-N-(5-naphthalen-1-ylnaphthalen-1-yl)-N-phenylnaphthalen-1-amine;6-naphthalen-2-yl-N-phenyl-N-(4-phenylphenyl)naphthalen-2-amine
CID 160719608
N-(4-chrysen-2-ylphenyl)-N-(2-phenylphenyl)phenanthren-9-amine
CID 170136320
N-(4-phenanthren-9-ylphenyl)-N-(2-phenylphenyl)chrysen-2-amine
CID 170136192
N-[3-(3-chrysen-6-ylphenyl)phenyl]-N-(2-phenylphenyl)naphthalen-2-amine
CID 170141177
N-(4-benzo[c]phenanthren-1-yl-2-phenylphenyl)-N-(2-phenylphenyl)phenanthren-2-amine
CID 167183489
N-naphthalen-2-yl-N-[2-(4-phenylphenyl)phenyl]triphenylen-2-amine
CID 166845854
N-(4-phenanthren-9-ylphenyl)-N-(2-phenylphenyl)chrysen-6-amine
CID 170135459
N,N-bis(2-phenanthren-9-ylphenyl)-6-phenylnaphthalen-2-amine
CID 142614539
N-(4-chrysen-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-2-phenylaniline
CID 170141965
4-(4-chrysen-2-ylphenyl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphthalen-1-amine
CID 170141564
N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]phenanthren-1-amine
CID 169063864

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-2-ylnaphthalen-1-yl)-N-(2-phenylphenyl)chrysen-2-amine?
The IUPAC name of N-(4-naphthalen-2-ylnaphthalen-1-yl)-N-(2-phenylphenyl)chrysen-2-amine (CID 170130600) is N-(4-naphthalen-2-ylnaphthalen-1-yl)-N-(2-phenylphenyl)chrysen-2-amine.
What is the SMILES notation for N-(4-naphthalen-2-ylnaphthalen-1-yl)-N-(2-phenylphenyl)chrysen-2-amine?
The canonical SMILES for N-(4-naphthalen-2-ylnaphthalen-1-yl)-N-(2-phenylphenyl)chrysen-2-amine is c1ccc(-c2ccccc2N(c2ccc3c(ccc4c5ccccc5ccc34)c2)c2ccc(-c3ccc4ccccc4c3)c3ccccc23)cc1.
What is the InChIKey of N-(4-naphthalen-2-ylnaphthalen-1-yl)-N-(2-phenylphenyl)chrysen-2-amine?
The InChIKey is XBIUXVQBUUYRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33N/c1-2-13-35(14-3-1)44-18-10-11-21-49(44)51(40-26-29-42-39(33-40)25-28-46-41-17-7-6-15-36(41)24-27-47(42)46)50-31-30-43(45-19-8-9-20-48(45)50)38-23-22-34-12-4-5-16-37(34)32-38/h1-33H.
What are the key properties of N-(4-naphthalen-2-ylnaphthalen-1-yl)-N-(2-phenylphenyl)chrysen-2-amine?
N-(4-naphthalen-2-ylnaphthalen-1-yl)-N-(2-phenylphenyl)chrysen-2-amine has a molecular weight of 647.82 g/mol, XLogP of 14.26, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-2-ylnaphthalen-1-yl)-N-(2-phenylphenyl)chrysen-2-amine is sourced from PubChem (CID 170130600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).