4-[4-[7-[4-(4-methyl-3-phenylisoquinolin-1-yl)phenyl]naphthalen-2-yl]phenyl]aniline

C44H32N2 — CID 155283480

IUPAC4-[4-[7-[4-(4-methyl-3-phenylisoquinolin-1-yl)phenyl]naphthalen-2-yl]phenyl]aniline
SMILESCc1c(-c2ccccc2)nc(-c2ccc(-c3ccc4ccc(-c5ccc(-c6ccc(N)cc6)cc5)cc4c3)cc2)c2ccccc12
InChIInChI=1S/C44H32N2/c1-29-41-9-5-6-10-42(41)44(46-43(29)35-7-3-2-4-8-35)36-19-15-33(16-20-36)38-22-18-34-17-21-37(27-39(34)28-38)32-13-11-30(12-14-32)31-23-25-40(45)26-24-31/h2-28H,45H2,1H3
InChIKeyBOIYSDKQYPHRNN-UHFFFAOYSA-N
MW588.75 g/mol
LogP11.61
Rot. Bonds5

About 4-[4-[7-[4-(4-methyl-3-phenylisoquinolin-1-yl)phenyl]naphthalen-2-yl]phenyl]aniline

4-[4-[7-[4-(4-methyl-3-phenylisoquinolin-1-yl)phenyl]naphthalen-2-yl]phenyl]aniline (PubChem CID 155283480) has the molecular formula C44H32N2 and a molecular weight of 588.75 g/mol. Its IUPAC name is 4-[4-[7-[4-(4-methyl-3-phenylisoquinolin-1-yl)phenyl]naphthalen-2-yl]phenyl]aniline.

Molecular Properties

Compound Name4-[4-[7-[4-(4-methyl-3-phenylisoquinolin-1-yl)phenyl]naphthalen-2-yl]phenyl]aniline
PubChem CID155283480
Molecular FormulaC44H32N2
Molecular Weight588.75 g/mol
Exact Mass588.26
IUPAC Name4-[4-[7-[4-(4-methyl-3-phenylisoquinolin-1-yl)phenyl]naphthalen-2-yl]phenyl]aniline
SMILESCc1c(-c2ccccc2)nc(-c2ccc(-c3ccc4ccc(-c5ccc(-c6ccc(N)cc6)cc5)cc4c3)cc2)c2ccccc12
InChIInChI=1S/C44H32N2/c1-29-41-9-5-6-10-42(41)44(46-43(29)35-7-3-2-4-8-35)36-19-15-33(16-20-36)38-22-18-34-17-21-37(27-39(34)28-38)32-13-11-30(12-14-32)31-23-25-40(45)26-24-31/h2-28H,45H2,1H3
InChIKeyBOIYSDKQYPHRNN-UHFFFAOYSA-N
XLogP11.61
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.75
LogP ≤ 511.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methylphenyl)-7-phenylnaphthalene
CID 155763940
azane;1,4-dimethyl-3-phenylisoquinoline
CID 175418789
2-naphthalen-2-yl-4-(7-naphthalen-2-ylnaphthalen-2-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 176588187
2-(7-phenylnaphthalen-2-yl)-4-[3-[2-(7-phenylnaphthalen-2-yl)quinazolin-4-yl]phenyl]quinazoline
CID 144856190
2,4-dinaphthalen-2-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine;ethane
CID 165043566
2-methyl-4-phenyl-6-(4-phenylphenyl)quinazoline
CID 161216404
ethane;4-naphthalen-2-ylaniline;prop-1-ene
CID 145312998
10-methyl-2-naphthalen-2-yl-9-phenylanthracene
CID 144687142
2,7-diphenylanthracene
CID 154020316
2,4-bis(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 153292216
9-naphthalen-2-yl-10-[7-[7-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]naphthalen-2-yl]anthracene
CID 172546716
azane;3-(4-bromophenyl)-1,4-dimethylisoquinoline
CID 175418781

Frequently Asked Questions

What is the IUPAC name of 4-[4-[7-[4-(4-methyl-3-phenylisoquinolin-1-yl)phenyl]naphthalen-2-yl]phenyl]aniline?
The IUPAC name of 4-[4-[7-[4-(4-methyl-3-phenylisoquinolin-1-yl)phenyl]naphthalen-2-yl]phenyl]aniline (CID 155283480) is 4-[4-[7-[4-(4-methyl-3-phenylisoquinolin-1-yl)phenyl]naphthalen-2-yl]phenyl]aniline.
What is the SMILES notation for 4-[4-[7-[4-(4-methyl-3-phenylisoquinolin-1-yl)phenyl]naphthalen-2-yl]phenyl]aniline?
The canonical SMILES for 4-[4-[7-[4-(4-methyl-3-phenylisoquinolin-1-yl)phenyl]naphthalen-2-yl]phenyl]aniline is Cc1c(-c2ccccc2)nc(-c2ccc(-c3ccc4ccc(-c5ccc(-c6ccc(N)cc6)cc5)cc4c3)cc2)c2ccccc12.
What is the InChIKey of 4-[4-[7-[4-(4-methyl-3-phenylisoquinolin-1-yl)phenyl]naphthalen-2-yl]phenyl]aniline?
The InChIKey is BOIYSDKQYPHRNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H32N2/c1-29-41-9-5-6-10-42(41)44(46-43(29)35-7-3-2-4-8-35)36-19-15-33(16-20-36)38-22-18-34-17-21-37(27-39(34)28-38)32-13-11-30(12-14-32)31-23-25-40(45)26-24-31/h2-28H,45H2,1H3.
What are the key properties of 4-[4-[7-[4-(4-methyl-3-phenylisoquinolin-1-yl)phenyl]naphthalen-2-yl]phenyl]aniline?
4-[4-[7-[4-(4-methyl-3-phenylisoquinolin-1-yl)phenyl]naphthalen-2-yl]phenyl]aniline has a molecular weight of 588.75 g/mol, XLogP of 11.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[7-[4-(4-methyl-3-phenylisoquinolin-1-yl)phenyl]naphthalen-2-yl]phenyl]aniline is sourced from PubChem (CID 155283480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).