N-naphthalen-1-yl-N-(4-phenanthren-9-ylphenyl)-10-(3-phenylphenyl)phenanthren-9-amine

C56H37N — CID 155305498

IUPACN-naphthalen-1-yl-N-(4-phenanthren-9-ylphenyl)-10-(3-phenylphenyl)phenanthren-9-amine
SMILESc1ccc(-c2cccc(-c3c(N(c4ccc(-c5cc6ccccc6c6ccccc56)cc4)c4cccc5ccccc45)c4ccccc4c4ccccc34)c2)cc1
InChIInChI=1S/C56H37N/c1-2-16-38(17-3-1)41-21-14-22-43(36-41)55-51-29-12-10-26-48(51)49-27-11-13-30-52(49)56(55)57(54-31-15-20-39-18-4-7-24-46(39)54)44-34-32-40(33-35-44)53-37-42-19-5-6-23-45(42)47-25-8-9-28-50(47)53/h1-37H
InChIKeyXPLWPPRINBIVJM-UHFFFAOYSA-N
MW723.92 g/mol
LogP15.92
Rot. Bonds6

About N-naphthalen-1-yl-N-(4-phenanthren-9-ylphenyl)-10-(3-phenylphenyl)phenanthren-9-amine

N-naphthalen-1-yl-N-(4-phenanthren-9-ylphenyl)-10-(3-phenylphenyl)phenanthren-9-amine (PubChem CID 155305498) has the molecular formula C56H37N and a molecular weight of 723.92 g/mol. Its IUPAC name is N-naphthalen-1-yl-N-(4-phenanthren-9-ylphenyl)-10-(3-phenylphenyl)phenanthren-9-amine.

Molecular Properties

Compound NameN-naphthalen-1-yl-N-(4-phenanthren-9-ylphenyl)-10-(3-phenylphenyl)phenanthren-9-amine
PubChem CID155305498
Molecular FormulaC56H37N
Molecular Weight723.92 g/mol
Exact Mass723.29
IUPAC NameN-naphthalen-1-yl-N-(4-phenanthren-9-ylphenyl)-10-(3-phenylphenyl)phenanthren-9-amine
SMILESc1ccc(-c2cccc(-c3c(N(c4ccc(-c5cc6ccccc6c6ccccc56)cc4)c4cccc5ccccc45)c4ccccc4c4ccccc34)c2)cc1
InChIInChI=1S/C56H37N/c1-2-16-38(17-3-1)41-21-14-22-43(36-41)55-51-29-12-10-26-48(51)49-27-11-13-30-52(49)56(55)57(54-31-15-20-39-18-4-7-24-46(39)54)44-34-32-40(33-35-44)53-37-42-19-5-6-23-45(42)47-25-8-9-28-50(47)53/h1-37H
InChIKeyXPLWPPRINBIVJM-UHFFFAOYSA-N
XLogP15.92
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500723.92
LogP ≤ 515.92
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-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-phenanthren-9-ylphenyl)naphthalen-1-amine
CID 169063067
N-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-10-phenylphenanthren-9-amine
CID 155304881
N-(4-phenanthren-9-ylphenyl)-N-[4-(3-phenanthren-9-ylphenyl)phenyl]-4-(4-phenylphenyl)aniline
CID 166956539
10-(3-naphthalen-1-ylphenyl)-N-phenyl-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
CID 155305426
N-naphthalen-1-yl-10-naphthalen-2-yl-N-phenylphenanthren-9-amine
CID 155304537
N-[4-[3-[10-(N,4-dinaphthalen-1-ylanilino)phenanthren-9-yl]phenyl]naphthalen-1-yl]-10-phenyl-N-(2-phenylphenyl)phenanthren-9-amine
CID 155303334
10-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]-N-[4-[3-[3-[10-(N-[4-(2-phenylphenyl)phenyl]anilino)phenanthren-9-yl]phenyl]phenyl]phenyl]phenanthren-9-amine
CID 155304845
N-[4-(3-chrysen-1-ylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)-2-phenylaniline
CID 170142122
N-(4-phenanthren-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-4-phenylaniline
CID 155304054
N-[4-[4-(N,4-dinaphthalen-1-ylanilino)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine
CID 59861426
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

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-N-(4-phenanthren-9-ylphenyl)-10-(3-phenylphenyl)phenanthren-9-amine?
The IUPAC name of N-naphthalen-1-yl-N-(4-phenanthren-9-ylphenyl)-10-(3-phenylphenyl)phenanthren-9-amine (CID 155305498) is N-naphthalen-1-yl-N-(4-phenanthren-9-ylphenyl)-10-(3-phenylphenyl)phenanthren-9-amine.
What is the SMILES notation for N-naphthalen-1-yl-N-(4-phenanthren-9-ylphenyl)-10-(3-phenylphenyl)phenanthren-9-amine?
The canonical SMILES for N-naphthalen-1-yl-N-(4-phenanthren-9-ylphenyl)-10-(3-phenylphenyl)phenanthren-9-amine is c1ccc(-c2cccc(-c3c(N(c4ccc(-c5cc6ccccc6c6ccccc56)cc4)c4cccc5ccccc45)c4ccccc4c4ccccc34)c2)cc1.
What is the InChIKey of N-naphthalen-1-yl-N-(4-phenanthren-9-ylphenyl)-10-(3-phenylphenyl)phenanthren-9-amine?
The InChIKey is XPLWPPRINBIVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H37N/c1-2-16-38(17-3-1)41-21-14-22-43(36-41)55-51-29-12-10-26-48(51)49-27-11-13-30-52(49)56(55)57(54-31-15-20-39-18-4-7-24-46(39)54)44-34-32-40(33-35-44)53-37-42-19-5-6-23-45(42)47-25-8-9-28-50(47)53/h1-37H.
What are the key properties of N-naphthalen-1-yl-N-(4-phenanthren-9-ylphenyl)-10-(3-phenylphenyl)phenanthren-9-amine?
N-naphthalen-1-yl-N-(4-phenanthren-9-ylphenyl)-10-(3-phenylphenyl)phenanthren-9-amine has a molecular weight of 723.92 g/mol, XLogP of 15.92, 6 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-phenanthren-9-ylphenyl)-10-(3-phenylphenyl)phenanthren-9-amine is sourced from PubChem (CID 155305498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).