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

C50H33N — CID 155303332

IUPACN-naphthalen-1-yl-N-(4-phenanthren-3-ylphenyl)-10-phenylphenanthren-9-amine
SMILESc1ccc(-c2c(N(c3ccc(-c4ccc5ccc6ccccc6c5c4)cc3)c3cccc4ccccc34)c3ccccc3c3ccccc23)cc1
InChIInChI=1S/C50H33N/c1-2-15-38(16-3-1)49-45-22-10-8-20-43(45)44-21-9-11-23-46(44)50(49)51(48-24-12-17-35-13-5-7-19-42(35)48)40-31-29-34(30-32-40)39-28-27-37-26-25-36-14-4-6-18-41(36)47(37)33-39/h1-33H
InChIKeySZTHXINEJWBXJT-UHFFFAOYSA-N
MW647.82 g/mol
LogP14.26
Rot. Bonds5

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

N-naphthalen-1-yl-N-(4-phenanthren-3-ylphenyl)-10-phenylphenanthren-9-amine (PubChem CID 155303332) has the molecular formula C50H33N and a molecular weight of 647.82 g/mol. Its IUPAC name is N-naphthalen-1-yl-N-(4-phenanthren-3-ylphenyl)-10-phenylphenanthren-9-amine.

Molecular Properties

Compound NameN-naphthalen-1-yl-N-(4-phenanthren-3-ylphenyl)-10-phenylphenanthren-9-amine
PubChem CID155303332
Molecular FormulaC50H33N
Molecular Weight647.82 g/mol
Exact Mass647.26
IUPAC NameN-naphthalen-1-yl-N-(4-phenanthren-3-ylphenyl)-10-phenylphenanthren-9-amine
SMILESc1ccc(-c2c(N(c3ccc(-c4ccc5ccc6ccccc6c5c4)cc3)c3cccc4ccccc34)c3ccccc3c3ccccc23)cc1
InChIInChI=1S/C50H33N/c1-2-15-38(16-3-1)49-45-22-10-8-20-43(45)44-21-9-11-23-46(44)50(49)51(48-24-12-17-35-13-5-7-19-42(35)48)40-31-29-34(30-32-40)39-28-27-37-26-25-36-14-4-6-18-41(36)47(37)33-39/h1-33H
InChIKeySZTHXINEJWBXJT-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-1-yl-N-(4-naphthalen-2-ylphenyl)-10-phenylphenanthren-9-amine
CID 155304881
N-naphthalen-1-yl-N-(4-phenanthren-9-ylphenyl)-10-(3-phenylphenyl)phenanthren-9-amine
CID 155305498
N-naphthalen-1-yl-10-naphthalen-2-yl-N-phenylphenanthren-9-amine
CID 155304537
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-naphthalen-1-ylphenanthren-2-amine
CID 169064424
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]naphthalen-1-amine
CID 169063444
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-naphthalen-1-yl-6-phenylnaphthalen-2-amine
CID 169065413
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
N-(4-chrysen-3-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline
CID 170135838
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-phenanthren-9-ylphenyl)naphthalen-1-amine
CID 169063067
N-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-10-phenylphenanthren-9-amine
CID 155303813
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-phenanthren-1-ylphenyl)phenanthren-1-amine
CID 169062488
N-naphthalen-2-yl-10-phenyl-N-(4-phenylphenyl)phenanthren-9-amine
CID 155304299

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-N-(4-phenanthren-3-ylphenyl)-10-phenylphenanthren-9-amine?
The IUPAC name of N-naphthalen-1-yl-N-(4-phenanthren-3-ylphenyl)-10-phenylphenanthren-9-amine (CID 155303332) is N-naphthalen-1-yl-N-(4-phenanthren-3-ylphenyl)-10-phenylphenanthren-9-amine.
What is the SMILES notation for N-naphthalen-1-yl-N-(4-phenanthren-3-ylphenyl)-10-phenylphenanthren-9-amine?
The canonical SMILES for N-naphthalen-1-yl-N-(4-phenanthren-3-ylphenyl)-10-phenylphenanthren-9-amine is c1ccc(-c2c(N(c3ccc(-c4ccc5ccc6ccccc6c5c4)cc3)c3cccc4ccccc34)c3ccccc3c3ccccc23)cc1.
What is the InChIKey of N-naphthalen-1-yl-N-(4-phenanthren-3-ylphenyl)-10-phenylphenanthren-9-amine?
The InChIKey is SZTHXINEJWBXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33N/c1-2-15-38(16-3-1)49-45-22-10-8-20-43(45)44-21-9-11-23-46(44)50(49)51(48-24-12-17-35-13-5-7-19-42(35)48)40-31-29-34(30-32-40)39-28-27-37-26-25-36-14-4-6-18-41(36)47(37)33-39/h1-33H.
What are the key properties of N-naphthalen-1-yl-N-(4-phenanthren-3-ylphenyl)-10-phenylphenanthren-9-amine?
N-naphthalen-1-yl-N-(4-phenanthren-3-ylphenyl)-10-phenylphenanthren-9-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-naphthalen-1-yl-N-(4-phenanthren-3-ylphenyl)-10-phenylphenanthren-9-amine is sourced from PubChem (CID 155303332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).