N-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-N-phenylisoquinolin-1-amine

C45H30N2 — CID 59390724

IUPACN-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-N-phenylisoquinolin-1-amine
SMILESc1ccc(N(c2ccc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)cc2)c2nccc3ccccc23)cc1
InChIInChI=1S/C45H30N2/c1-2-16-34(17-3-1)47(45-37-19-7-5-14-32(37)29-30-46-45)35-27-25-33(26-28-35)43-39-20-8-10-22-41(39)44(42-23-11-9-21-40(42)43)38-24-12-15-31-13-4-6-18-36(31)38/h1-30H
InChIKeyOBZPAIJCHFZMQI-UHFFFAOYSA-N
MW598.75 g/mol
LogP12.50
Rot. Bonds5

About N-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-N-phenylisoquinolin-1-amine

N-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-N-phenylisoquinolin-1-amine (PubChem CID 59390724) has the molecular formula C45H30N2 and a molecular weight of 598.75 g/mol. Its IUPAC name is N-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-N-phenylisoquinolin-1-amine.

Molecular Properties

Compound NameN-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-N-phenylisoquinolin-1-amine
PubChem CID59390724
Molecular FormulaC45H30N2
Molecular Weight598.75 g/mol
Exact Mass598.24
IUPAC NameN-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-N-phenylisoquinolin-1-amine
SMILESc1ccc(N(c2ccc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)cc2)c2nccc3ccccc23)cc1
InChIInChI=1S/C45H30N2/c1-2-16-34(17-3-1)47(45-37-19-7-5-14-32(37)29-30-46-45)35-27-25-33(26-28-35)43-39-20-8-10-22-41(39)44(42-23-11-9-21-40(42)43)38-24-12-15-31-13-4-6-18-36(31)38/h1-30H
InChIKeyOBZPAIJCHFZMQI-UHFFFAOYSA-N
XLogP12.50
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.75
LogP ≤ 512.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

4-[4-(N-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]anilino)phenyl]-N,N-diphenylaniline
CID 59221810
9-naphthalen-1-yl-2-N,2-N,6-N,6-N-tetraphenyl-10-(4-phenylphenyl)anthracene-2,6-diamine
CID 58895480
4-[10-[4-[(E)-2-(4-naphthalen-1-ylnaphthalen-1-yl)ethenyl]naphthalen-1-yl]anthracen-9-yl]-N,N-diphenylaniline
CID 118027309
9-naphthalen-1-yl-10-phenyl-2-N,2-N,6-N,6-N-tetrakis(4-phenylphenyl)anthracene-2,6-diamine
CID 59766228
3-(10-naphthalen-1-ylanthracen-9-yl)-N,N-diphenylaniline
CID 164717619
3,6-bis(10-phenylanthracen-9-yl)phenanthrene;9-(4-naphthalen-1-ylphenyl)-10-phenanthren-3-ylanthracene;4-(10-phenanthren-3-ylanthracen-9-yl)-N,N-diphenylaniline
CID 159532713
N-(4-bromophenyl)-N-phenylpyridin-2-amine;(10-naphthalen-1-ylanthracen-9-yl)boronic acid;N-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-N-phenylpyridin-2-amine
CID 158028545
4-(10-naphthalen-1-ylanthracen-9-yl)pyridine
CID 89341882
N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-c]pyridin-1-amine
CID 166860815
2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-6-phenylpyridine
CID 121338692
4-[4-[4-(4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N,N-diphenylaniline;N-[4-[4-[4-(4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]aniline
CID 159367730
4-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-N-(4-fluorophenyl)-N-phenylaniline
CID 90336227

Frequently Asked Questions

What is the IUPAC name of N-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-N-phenylisoquinolin-1-amine?
The IUPAC name of N-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-N-phenylisoquinolin-1-amine (CID 59390724) is N-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-N-phenylisoquinolin-1-amine.
What is the SMILES notation for N-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-N-phenylisoquinolin-1-amine?
The canonical SMILES for N-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-N-phenylisoquinolin-1-amine is c1ccc(N(c2ccc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)cc2)c2nccc3ccccc23)cc1.
What is the InChIKey of N-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-N-phenylisoquinolin-1-amine?
The InChIKey is OBZPAIJCHFZMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30N2/c1-2-16-34(17-3-1)47(45-37-19-7-5-14-32(37)29-30-46-45)35-27-25-33(26-28-35)43-39-20-8-10-22-41(39)44(42-23-11-9-21-40(42)43)38-24-12-15-31-13-4-6-18-36(31)38/h1-30H.
What are the key properties of N-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-N-phenylisoquinolin-1-amine?
N-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-N-phenylisoquinolin-1-amine has a molecular weight of 598.75 g/mol, XLogP of 12.50, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-N-phenylisoquinolin-1-amine is sourced from PubChem (CID 59390724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).