N-[4-(4a,8a-dihydronaphthalen-2-yl)phenyl]-4-chrysen-3-yl-2-phenyl-N-(3-phenylphenyl)aniline

C58H41N — CID 170675784

IUPACN-[4-(4a,8a-dihydronaphthalen-2-yl)phenyl]-4-chrysen-3-yl-2-phenyl-N-(3-phenylphenyl)aniline
SMILESC1=CC2C=CC(c3ccc(N(c4cccc(-c5ccccc5)c4)c4ccc(-c5ccc6ccc7c8ccccc8ccc7c6c5)cc4-c4ccccc4)cc3)=CC2C=C1
InChIInChI=1S/C58H41N/c1-3-12-40(13-4-1)47-19-11-20-52(37-47)59(51-31-26-42(27-32-51)48-24-22-41-14-7-8-18-46(41)36-48)58-35-30-50(39-57(58)43-15-5-2-6-16-43)49-25-23-45-29-33-54-53-21-10-9-17-44(53)28-34-55(54)56(45)38-49/h1-39,41,46H
InChIKeyNLJYZRHMBFHWGX-UHFFFAOYSA-N
MW751.97 g/mol
LogP15.93
Rot. Bonds7

About N-[4-(4a,8a-dihydronaphthalen-2-yl)phenyl]-4-chrysen-3-yl-2-phenyl-N-(3-phenylphenyl)aniline

N-[4-(4a,8a-dihydronaphthalen-2-yl)phenyl]-4-chrysen-3-yl-2-phenyl-N-(3-phenylphenyl)aniline (PubChem CID 170675784) has the molecular formula C58H41N and a molecular weight of 751.97 g/mol. Its IUPAC name is N-[4-(4a,8a-dihydronaphthalen-2-yl)phenyl]-4-chrysen-3-yl-2-phenyl-N-(3-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-(4a,8a-dihydronaphthalen-2-yl)phenyl]-4-chrysen-3-yl-2-phenyl-N-(3-phenylphenyl)aniline
PubChem CID170675784
Molecular FormulaC58H41N
Molecular Weight751.97 g/mol
Exact Mass751.32
IUPAC NameN-[4-(4a,8a-dihydronaphthalen-2-yl)phenyl]-4-chrysen-3-yl-2-phenyl-N-(3-phenylphenyl)aniline
SMILESC1=CC2C=CC(c3ccc(N(c4cccc(-c5ccccc5)c4)c4ccc(-c5ccc6ccc7c8ccccc8ccc7c6c5)cc4-c4ccccc4)cc3)=CC2C=C1
InChIInChI=1S/C58H41N/c1-3-12-40(13-4-1)47-19-11-20-52(37-47)59(51-31-26-42(27-32-51)48-24-22-41-14-7-8-18-46(41)36-48)58-35-30-50(39-57(58)43-15-5-2-6-16-43)49-25-23-45-29-33-54-53-21-10-9-17-44(53)28-34-55(54)56(45)38-49/h1-39,41,46H
InChIKeyNLJYZRHMBFHWGX-UHFFFAOYSA-N
XLogP15.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500751.97
LogP ≤ 515.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[4-(4a,8a-dihydronaphthalen-2-yl)phenyl]-4-chrysen-3-yl-2-phenyl-N-(3-phenylphenyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chrysen-3-yl-2-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 170140942
4-chrysen-3-yl-N-(4-naphthalen-2-ylphenyl)-2-phenyl-N-(3-phenylphenyl)aniline
CID 170140977
N-(4-chrysen-3-ylphenyl)-2-naphthalen-1-yl-N,4-diphenylaniline
CID 170141031
N-(2,4-diphenylphenyl)-N-phenylphenanthren-1-amine
CID 118369404
4-(4-chrysen-2-ylphenyl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphthalen-1-amine
CID 170141564
4-chrysen-1-yl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 170142135
N-[4-(4-chrysen-6-ylphenyl)phenyl]-N-(3-phenylphenyl)-2-(4-phenylphenyl)aniline
CID 170141496
N-(4-chrysen-6-ylphenyl)-2-naphthalen-1-yl-N,4-diphenylaniline
CID 170140885
N-[2-(4-chrysen-3-yl-2-phenylphenyl)phenyl]-N-phenylphenanthren-3-amine
CID 170141651
3-chrysen-3-yl-N-[3-(4-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 170141642
N-(4-benzo[c]phenanthren-2-ylphenyl)-N-(4-naphthalen-1-yl-2-phenylphenyl)phenanthren-2-amine
CID 167183092
3-phenanthren-3-yl-N-(4-phenanthren-9-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 142614449

Frequently Asked Questions

What is the IUPAC name of N-[4-(4a,8a-dihydronaphthalen-2-yl)phenyl]-4-chrysen-3-yl-2-phenyl-N-(3-phenylphenyl)aniline?
The IUPAC name of N-[4-(4a,8a-dihydronaphthalen-2-yl)phenyl]-4-chrysen-3-yl-2-phenyl-N-(3-phenylphenyl)aniline (CID 170675784) is N-[4-(4a,8a-dihydronaphthalen-2-yl)phenyl]-4-chrysen-3-yl-2-phenyl-N-(3-phenylphenyl)aniline.
What is the SMILES notation for N-[4-(4a,8a-dihydronaphthalen-2-yl)phenyl]-4-chrysen-3-yl-2-phenyl-N-(3-phenylphenyl)aniline?
The canonical SMILES for N-[4-(4a,8a-dihydronaphthalen-2-yl)phenyl]-4-chrysen-3-yl-2-phenyl-N-(3-phenylphenyl)aniline is C1=CC2C=CC(c3ccc(N(c4cccc(-c5ccccc5)c4)c4ccc(-c5ccc6ccc7c8ccccc8ccc7c6c5)cc4-c4ccccc4)cc3)=CC2C=C1.
What is the InChIKey of N-[4-(4a,8a-dihydronaphthalen-2-yl)phenyl]-4-chrysen-3-yl-2-phenyl-N-(3-phenylphenyl)aniline?
The InChIKey is NLJYZRHMBFHWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H41N/c1-3-12-40(13-4-1)47-19-11-20-52(37-47)59(51-31-26-42(27-32-51)48-24-22-41-14-7-8-18-46(41)36-48)58-35-30-50(39-57(58)43-15-5-2-6-16-43)49-25-23-45-29-33-54-53-21-10-9-17-44(53)28-34-55(54)56(45)38-49/h1-39,41,46H.
What are the key properties of N-[4-(4a,8a-dihydronaphthalen-2-yl)phenyl]-4-chrysen-3-yl-2-phenyl-N-(3-phenylphenyl)aniline?
N-[4-(4a,8a-dihydronaphthalen-2-yl)phenyl]-4-chrysen-3-yl-2-phenyl-N-(3-phenylphenyl)aniline has a molecular weight of 751.97 g/mol, XLogP of 15.93, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4a,8a-dihydronaphthalen-2-yl)phenyl]-4-chrysen-3-yl-2-phenyl-N-(3-phenylphenyl)aniline is sourced from PubChem (CID 170675784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).