N-[4-[1-[3-(N-naphthalen-2-ylanilino)phenyl]chrysen-6-yl]phenyl]-N-phenylnaphthalen-2-amine

C62H42N2 — CID 122416704

IUPACN-[4-[1-[3-(N-naphthalen-2-ylanilino)phenyl]chrysen-6-yl]phenyl]-N-phenylnaphthalen-2-amine
SMILESc1ccc(N(c2ccc(-c3cc4c5cccc(-c6cccc(N(c7ccccc7)c7ccc8ccccc8c7)c6)c5ccc4c4ccccc34)cc2)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C62H42N2/c1-3-20-49(21-4-1)63(53-35-29-43-15-7-9-17-46(43)39-53)51-33-31-45(32-34-51)61-42-62-58-28-14-27-55(59(58)37-38-60(62)56-25-11-12-26-57(56)61)48-19-13-24-52(41-48)64(50-22-5-2-6-23-50)54-36-30-44-16-8-10-18-47(44)40-54/h1-42H
InChIKeyAZRTUEYICCZKHP-UHFFFAOYSA-N
MW815.03 g/mol
LogP17.73
Rot. Bonds8

About N-[4-[1-[3-(N-naphthalen-2-ylanilino)phenyl]chrysen-6-yl]phenyl]-N-phenylnaphthalen-2-amine

N-[4-[1-[3-(N-naphthalen-2-ylanilino)phenyl]chrysen-6-yl]phenyl]-N-phenylnaphthalen-2-amine (PubChem CID 122416704) has the molecular formula C62H42N2 and a molecular weight of 815.03 g/mol. Its IUPAC name is N-[4-[1-[3-(N-naphthalen-2-ylanilino)phenyl]chrysen-6-yl]phenyl]-N-phenylnaphthalen-2-amine.

Molecular Properties

Compound NameN-[4-[1-[3-(N-naphthalen-2-ylanilino)phenyl]chrysen-6-yl]phenyl]-N-phenylnaphthalen-2-amine
PubChem CID122416704
Molecular FormulaC62H42N2
Molecular Weight815.03 g/mol
Exact Mass814.33
IUPAC NameN-[4-[1-[3-(N-naphthalen-2-ylanilino)phenyl]chrysen-6-yl]phenyl]-N-phenylnaphthalen-2-amine
SMILESc1ccc(N(c2ccc(-c3cc4c5cccc(-c6cccc(N(c7ccccc7)c7ccc8ccccc8c7)c6)c5ccc4c4ccccc34)cc2)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C62H42N2/c1-3-20-49(21-4-1)63(53-35-29-43-15-7-9-17-46(43)39-53)51-33-31-45(32-34-51)61-42-62-58-28-14-27-55(59(58)37-38-60(62)56-25-11-12-26-57(56)61)48-19-13-24-52(41-48)64(50-22-5-2-6-23-50)54-36-30-44-16-8-10-18-47(44)40-54/h1-42H
InChIKeyAZRTUEYICCZKHP-UHFFFAOYSA-N
XLogP17.73
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500815.03
LogP ≤ 517.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chrysen-6-ylphenyl)-N-(3-phenylphenyl)naphthalen-2-amine
CID 170135686
3-chrysen-6-yl-N-phenyl-N-(4-phenylphenyl)aniline
CID 170141071
N-[3-(2-chrysen-6-ylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)-4-phenylnaphthalen-2-amine
CID 170141437
N-[3-(3-chrysen-6-ylphenyl)phenyl]-N-(2-phenylphenyl)naphthalen-2-amine
CID 170141177
3-phenanthren-9-yl-N-(4-phenanthren-9-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 142614555
1-N-naphthalen-2-yl-3-N-(5-naphthalen-2-ylnaphthalen-2-yl)-1-N,3-N-diphenylbenzene-1,3-diamine
CID 176588198
6-chrysen-1-yl-N-[4-[3-[4-[1-[4-[4-(N-(2-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]chrysen-6-yl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 170141997
N,N-dinaphthalen-2-yl-6-phenanthren-9-ylnaphthalen-2-amine;N,N-dinaphthalen-2-yl-7-phenanthren-9-ylnaphthalen-2-amine;3-fluoranthen-3-yl-N,N-diphenylaniline
CID 160707555
N-(4-naphthalen-1-ylphenyl)-3-phenanthren-9-yl-N-(3-phenanthren-9-ylphenyl)aniline
CID 162481190
3-naphthalen-2-yl-N-(3-phenanthren-9-ylphenyl)-N-phenylaniline
CID 166566627
N-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)chrysen-3-amine
CID 170130702
N-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)-9,10-diphenylphenanthren-2-amine
CID 169063182

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[3-(N-naphthalen-2-ylanilino)phenyl]chrysen-6-yl]phenyl]-N-phenylnaphthalen-2-amine?
The IUPAC name of N-[4-[1-[3-(N-naphthalen-2-ylanilino)phenyl]chrysen-6-yl]phenyl]-N-phenylnaphthalen-2-amine (CID 122416704) is N-[4-[1-[3-(N-naphthalen-2-ylanilino)phenyl]chrysen-6-yl]phenyl]-N-phenylnaphthalen-2-amine.
What is the SMILES notation for N-[4-[1-[3-(N-naphthalen-2-ylanilino)phenyl]chrysen-6-yl]phenyl]-N-phenylnaphthalen-2-amine?
The canonical SMILES for N-[4-[1-[3-(N-naphthalen-2-ylanilino)phenyl]chrysen-6-yl]phenyl]-N-phenylnaphthalen-2-amine is c1ccc(N(c2ccc(-c3cc4c5cccc(-c6cccc(N(c7ccccc7)c7ccc8ccccc8c7)c6)c5ccc4c4ccccc34)cc2)c2ccc3ccccc3c2)cc1.
What is the InChIKey of N-[4-[1-[3-(N-naphthalen-2-ylanilino)phenyl]chrysen-6-yl]phenyl]-N-phenylnaphthalen-2-amine?
The InChIKey is AZRTUEYICCZKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H42N2/c1-3-20-49(21-4-1)63(53-35-29-43-15-7-9-17-46(43)39-53)51-33-31-45(32-34-51)61-42-62-58-28-14-27-55(59(58)37-38-60(62)56-25-11-12-26-57(56)61)48-19-13-24-52(41-48)64(50-22-5-2-6-23-50)54-36-30-44-16-8-10-18-47(44)40-54/h1-42H.
What are the key properties of N-[4-[1-[3-(N-naphthalen-2-ylanilino)phenyl]chrysen-6-yl]phenyl]-N-phenylnaphthalen-2-amine?
N-[4-[1-[3-(N-naphthalen-2-ylanilino)phenyl]chrysen-6-yl]phenyl]-N-phenylnaphthalen-2-amine has a molecular weight of 815.03 g/mol, XLogP of 17.73, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-[3-(N-naphthalen-2-ylanilino)phenyl]chrysen-6-yl]phenyl]-N-phenylnaphthalen-2-amine is sourced from PubChem (CID 122416704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).